3-Chloropyridine-2-carboxylic acid - CAS 57266-69-0

Name: 3-Chloropyridine-2-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029621
Product Name:	3-Chloropyridine-2-carboxylic acid
CAS:	57266-69-0
Synonyms:	3-chloropyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	3-chloropyridine-2-carboxylic acid
Description:	3-Chloropyridine-2-carboxylic acid (CAS# 57266-69-0) is a compound useful in organic synthesis.
Molecular Weight:	157.55
Molecular Formula:	C6H4ClNO2
Canonical SMILES:	C1=CC(=C(N=C1)C(=O)O)Cl
InChI:	InChI=1S/C6H4ClNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)
InChI Key:	XTMUXJBJCMRWPG-UHFFFAOYSA-N
Boiling Point:	297.6 °C at 760 mmHg
Melting Point:	131 °C (dec.)
Purity:	> 98.0 % (GC) (T)
Density:	1.47 g/cm³
Appearance:	Off-white solid
MDL:	MFCD01646325
LogP:	1.43320

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[144584-32-7]C5H2BrCl2N
3-Bromo-2,4-dichloropyridine

GHS Hazard Statement:	H302 (87.23%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21476569	20110511	Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition	Journal of agricultural and food chemistry
18922014	20081112	Comparative metabolism and pharmacokinetics of seven neonicotinoid insecticides in spinach	Journal of agricultural and food chemistry

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.9930561
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.9930561
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3