5-bromo-3-nitropyridine-2-carboxylic acid

5-bromo-3-nitropyridine-2-carboxylic acid

CAS: 954240-89-2

Formula: C6H3BrN2O4

SMILES: OC(=O)C1=NC=C(Br)C=C1[N+]([O-])=O

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

InChI: InChI=1S/C6H3BrN2O4/c7-3-1-4(9(12)13)5(6(10)11)8-2-3/h1-2H,(H,10,11)

Composition: C (29.18%), H (1.22%), Br (32.35%), N (11.34%), O (25.91%)

Molar Mass: 247.004

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.92762
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	NLHXGZDQNSRWHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.73
Topological Polar Surface Area	93.33
Polarizability	17.01
Ring Count	1
Rotatable Bond Count	2

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