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6-bromo-4-nitropyridine-2-carboxylic acid

6-bromo-4-nitropyridine-2-carboxylic acid

CAS: 231287-89-1

Formula: C6H3BrN2O4

SMILES: OC(=O)C1=CC(=CC(Br)=N1)[N+]([O-])=O

IUPAC: 6-bromo-4-nitropyridine-2-carboxylic acid

InChI: InChI=1S/C6H3BrN2O4/c7-5-2-3(9(12)13)1-4(8-5)6(10)11/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 YQBRMUXRAFVSPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.57
Topological Polar Surface Area 93.33
Polarizability 17.05
Ring Count 1
Rotatable Bond Count 2

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