4-methyl-5-nitropyridine-2-carboxylic acid

4-methyl-5-nitropyridine-2-carboxylic acid

CAS: 5832-43-9

Formula: C7H6N2O4

SMILES: CC1=C(C=NC(=C1)C(O)=O)[N+]([O-])=O

IUPAC: 4-methyl-5-nitropyridine-2-carboxylic acid

InChI: InChI=1S/C7H6N2O4/c1-4-2-5(7(10)11)8-3-6(4)9(12)13/h2-3H,1H3,(H,10,11)

Composition: C (46.16%), H (3.32%), N (15.38%), O (35.14%)

Molar Mass: 182.135

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.032756681
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	WRCSKWMCSRGUTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.15
Topological Polar Surface Area	93.33
Polarizability	15.59
Ring Count	1
Rotatable Bond Count	2

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