4-nitropyridine-2-carboxylic acid

4-nitropyridine-2-carboxylic acid

CAS: 13509-19-8

Formula: C6H4N2O4

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

IUPAC: 4-nitropyridine-2-carboxylic acid

InChI: InChI=1S/C6H4N2O4/c9-6(10)5-3-4(8(11)12)1-2-7-5/h1-3H,(H,9,10)

Composition: C (42.87%), H (2.40%), N (16.66%), O (38.07%)

Molar Mass: 168.108

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.017106617
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	USTVSOYPMQZLSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.11
Topological Polar Surface Area	93.33
Polarizability	13.86
Ring Count	1
Rotatable Bond Count	2

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