6-fluoro-5-nitropyridine-2-carboxylic acid

6-fluoro-5-nitropyridine-2-carboxylic acid

CAS: 2386684-85-9

Formula: C6H3FN2O4

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

IUPAC: 6-fluoro-5-nitropyridine-2-carboxylic acid

InChI: InChI=1S/C6H3FN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11)

Composition: C (38.72%), H (1.62%), F (10.21%), N (15.05%), O (34.39%)

Molar Mass: 186.098

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.007684748
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MGHLIPZPNWMZAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.34
Topological Polar Surface Area	93.33
Polarizability	13.76
Ring Count	1
Rotatable Bond Count	2

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