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2-chloro-5-phenylpyridine-3-carboxylic acid

2-chloro-5-phenylpyridine-3-carboxylic acid

CAS: 117449-73-7

Formula: C12H8ClNO2

SMILES: OC(=O)C1=CC(=CN=C1Cl)C1=CC=CC=C1

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

InChI: InChI=1S/C12H8ClNO2/c13-11-10(12(15)16)6-9(7-14-11)8-4-2-1-3-5-8/h1-7H,(H,15,16)

Composition: C (61.69%), H (3.45%), Cl (15.17%), N (5.99%), O (13.69%)

Molar Mass: 233.65

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 233.0243562
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NBOKAEBXNZKDJZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.16
Topological Polar Surface Area 50.19
Polarizability 24.65
Ring Count 2
Rotatable Bond Count 2

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