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57266-69-0

57266-69-0

3-Chloropicolinic acid

Synonyms
  • 3-Chloropicolinic acid
  • 57266-69-0
  • 3-Chloropyridine-2-carboxylic acid
  • 3-Chloro-2-pyridinecarboxylic Acid
  • 3-chloro-2-picolinic acid
Molecular Formula
C6H4ClNO2

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description

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Molecular Formula
C6H4ClNO2
Iupac Name
3-chloropyridine-2-carboxylic acid
Canonical Smiles
C1=CC(=C(N=C1)C(=O)O)Cl
StdInChi
InChI=1S/C6H4ClNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
StdInChiKey
XTMUXJBJCMRWPG-UHFFFAOYSA-N
Appearance
Off-White Powder
Molecular Weight
157.55
Exact Mass
156.9930561
Average Mass
157.555 Da
Monoisotopic Mass
156.9930561
Boiling Point
297.6±20.0 °C at 760 mmHg
Experimental Boiling Point
297.6 °C
Experimental Melting Point
131 °C (Decomposes)
Flash Point
133.8±21.8 °C
Density
1.5±0.1 g/cm3
Vapour Pressure
0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization
56.8±3.0 kJ/mol
Refractive Index
1.590
Molar Refractivity
36.2±0.3 cm3
Polar Surface Area
50.2 Ų
Polarizability
14.3±0.5 10-24cm3
Surface Tension
61.0±3.0 dyne/cm
Molar Volume
107.1±3.0 cm3
Experimental Logp
0.902
xLogP3AA
1.3
Acd LogP
0.29
Acd LogD Ph55
-1.72
Acd Bcf Ph55
1.00
Acd Koc Ph55
1.00
Acd LogD Ph74
-2.17
Acd Bcf Ph74
1.00
Acd Koc Ph74
1.00
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Heavy Atom Count
10
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
3
H Bond Donors
1
Freely Rotating Bonds
1
Rule of 5 Violations
0
Formal Charge
0
Complexity
140
Compound is Canonicalized
Yes

Related Article(s)

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Pyridine as a ligand

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Pyridine as a solvent in paints and varnishes

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Pyridine as anti-antioxidant agentOct 15, 2023

Pyridine as anti-antioxidant agent

Diseases associated with oxidative stress have been demonstrated to react well to antioxidant therapy, and this treatment has been proved to be both safe and effective. Consuming antioxidant-rich meals protects against neurological and cardiovascular disease in addition to decreasing cancer risk.

Pyridine as pesticideOct 8, 2023

Pyridine as pesticide

Pesticides are effective, safe, and long-lasting because of the pyridine moiety. They are ecologically sustainable while meeting the demands and trends of pesticide development. The rapid development of pyridine-containing pesticides is one of the most visible developments in the pesticide business.