2-chloro-5-methoxypyridine-3-carboxylic acid

2-chloro-5-methoxypyridine-3-carboxylic acid

CAS: 74650-71-8

Formula: C7H6ClNO3

SMILES: COC1=CC(C(O)=O)=C(Cl)N=C1

IUPAC: 2-chloro-5-methoxypyridine-3-carboxylic acid

InChI: InChI=1S/C7H6ClNO3/c1-12-4-2-5(7(10)11)6(8)9-3-4/h2-3H,1H3,(H,10,11)

Composition: C (44.82%), H (3.22%), Cl (18.90%), N (7.47%), O (25.59%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.0036208
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AJKXOHPNDQHYDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.49
Topological Polar Surface Area	59.42
Polarizability	16.38
Ring Count	1
Rotatable Bond Count	2

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