5-bromo-3-fluoropyridine-2-carboxylic acid

5-bromo-3-fluoropyridine-2-carboxylic acid

CAS: 669066-91-5

Formula: C6H3BrFNO2

SMILES: OC(=O)C1=NC=C(Br)C=C1F

IUPAC: 5-bromo-3-fluoropyridine-2-carboxylic acid

InChI: InChI=1S/C6H3BrFNO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)

Composition: C (32.76%), H (1.37%), Br (36.32%), F (8.64%), N (6.37%), O (14.54%)

Molar Mass: 219.997

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.93312
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JXHUXOAJAYWMHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.62
Topological Polar Surface Area	50.19
Polarizability	14.76
Ring Count	1
Rotatable Bond Count	1

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