2-chloro-4-fluoropyridine-3-carboxylic acid

2-chloro-4-fluoropyridine-3-carboxylic acid

CAS: 929022-76-4

Formula: C6H3ClFNO2

SMILES: OC(=O)C1=C(F)C=CN=C1Cl

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

InChI: InChI=1S/C6H3ClFNO2/c7-5-4(6(10)11)3(8)1-2-9-5/h1-2H,(H,10,11)

Composition: C (41.05%), H (1.72%), Cl (20.19%), F (10.82%), N (7.98%), O (18.23%)

Molar Mass: 175.54

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.9836342
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GXDFQGOVWALHAS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.24
Topological Polar Surface Area	50.19
Polarizability	13.68
Ring Count	1
Rotatable Bond Count	1

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