3-amino-6-bromo-5-fluoropyridine-2-carboxylic acid

3-amino-6-bromo-5-fluoropyridine-2-carboxylic acid

CAS: 1052714-14-3

Formula: C6H4BrFN2O2

SMILES: NC1=CC(F)=C(Br)N=C1C(O)=O

IUPAC: 3-amino-6-bromo-5-fluoropyridine-2-carboxylic acid

InChI: InChI=1S/C6H4BrFN2O2/c7-5-2(8)1-3(9)4(10-5)6(11)12/h1H,9H2,(H,11,12)

Composition: C (30.66%), H (1.72%), Br (34.00%), F (8.08%), N (11.92%), O (13.62%)

Molar Mass: 235.012

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.944019
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XJCGNMVYWONXCU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.17
Topological Polar Surface Area	76.21
Polarizability	15.99
Ring Count	1
Rotatable Bond Count	1

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