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2-Chloro-3-methyl-4-pyridinecarboxylic Acid

2-Chloro-3-methyl-4-pyridinecarboxylic Acid - CAS 133928-73-1

Name: 2-Chloro-3-methyl-4-pyridinecarboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007843
Product Name:	2-Chloro-3-methyl-4-pyridinecarboxylic Acid
CAS:	133928-73-1
Synonyms:	2-chloro-3-methyl-4-pyridinecarboxylic acid; 2-chloro-3-methylpyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3-methylpyridine-4-carboxylic acid
Description:	2-Chloro-3-methyl-4-pyridinecarboxylic Acid (CAS# 133928-73-1) is a derivative of Isonicotinic Acid (I821760) and is used as a reagent in the synthesis of N-pyridinylmethyl benzamide derivatives as anticancer agents.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	CC1=C(C=CN=C1Cl)C(=O)O
InChI:	InChI=1S/C7H6ClNO2/c1-4-5(7(10)11)2-3-9-6(4)8/h2-3H,1H3,(H,10,11)
InChI Key:	JYVLCHBMNCMRBO-UHFFFAOYSA-N
LogP:	1.74160

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H302 (100%): 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

Publication Number	Title	Priority Date
CN-113248492-A	Heterocycle substituted nitrogen-containing six-membered heterocycle derivative, preparation method and medical application thereof	20200210
AU-2017353310-A1	[1,2,4]triazolo[1,5-a]pyrimidine derivatives as PDE2 inhibitors	20161102
US-2019276462-A1	[1,2,4]triazolo[1,5‐a]pyrimidine compounds as pde2 inhibitors	20161102
EP-3535267-B1	[1,2,4]triazolo[1,5-a]pyrimidine derivatives as pde2 inhibitors	20161102
US-10947242-B2	[1,2,4]triazolo[1,5and#8208;A]pyrimidine compounds as PDE2 inhibitors	20161102

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7