2-(hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid

2-(hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid

CAS: 34783-31-8

Formula: C16H14N2O7

SMILES: COC(=O)C1=C(C)N=C(CO)C(C(O)=O)=C1C1=C(C=CC=C1)[N+]([O-])=O

IUPAC: 2-(hydroxymethyl)-5-(methoxycarbonyl)-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)

Composition: C (55.49%), H (4.08%), N (8.09%), O (32.34%)

Molar Mass: 346.295

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	346.080100799
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	ARDQNVJJIRIJPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.52
Topological Polar Surface Area	139.86
Polarizability	33.33
Ring Count	2
Rotatable Bond Count	5

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