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6-chloro-5-fluoropyridine-3-carboxylic acid

6-chloro-5-fluoropyridine-3-carboxylic acid

CAS: 38186-86-6

Formula: C6H3ClFNO2

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

IUPAC: 6-chloro-5-fluoropyridine-3-carboxylic acid

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