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2-chloro-3-methylpyridine-4-carboxylic acid

2-chloro-3-methylpyridine-4-carboxylic acid

CAS: 133928-73-1

Formula: C7H6ClNO2

SMILES: CC1=C(Cl)N=CC=C1C(O)=O

IUPAC: 2-chloro-3-methylpyridine-4-carboxylic acid

InChI: InChI=1S/C7H6ClNO2/c1-4-5(7(10)11)2-3-9-6(4)8/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 JYVLCHBMNCMRBO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.06
Topological Polar Surface Area 50.19
Polarizability 15.55
Ring Count 1
Rotatable Bond Count 1

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