2-chloro-6-methylpyridine-3-carboxylic acid

2-chloro-6-methylpyridine-3-carboxylic acid

CAS: 30529-70-5

Formula: C7H6ClNO2

SMILES: CC1=NC(Cl)=C(C=C1)C(O)=O

IUPAC: 2-chloro-6-methylpyridine-3-carboxylic acid

InChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)6(8)9-4/h2-3H,1H3,(H,10,11)

Composition: C (49.00%), H (3.52%), Cl (20.66%), N (8.16%), O (18.65%)

Molar Mass: 171.58

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.0087061
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ACQXHCHKMFYDPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.61
Topological Polar Surface Area	50.19
Polarizability	15.57
Ring Count	1
Rotatable Bond Count	1

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