methyl 6-methoxy-5-nitropyridine-3-carboxylate

methyl 6-methoxy-5-nitropyridine-3-carboxylate

CAS: 59237-49-9

Formula: C8H8N2O5

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

IUPAC: methyl 6-methoxy-5-nitropyridine-3-carboxylate

InChI: InChI=1S/C8H8N2O5/c1-14-7-6(10(12)13)3-5(4-9-7)8(11)15-2/h3-4H,1-2H3

Composition: C (45.29%), H (3.80%), N (13.20%), O (37.70%)

Molar Mass: 212.161

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.043321366
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YVGHVJUGJZGYPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.02
Topological Polar Surface Area	91.56
Polarizability	18.46
Ring Count	1
Rotatable Bond Count	4

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