3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate

3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate

CAS: 67035-22-7

Formula: C17H16N2O6

SMILES: COC(=O)C1=C(C2=CC=CC=C2[N+]([O-])=O)C(C(=O)OC)=C(C)N=C1C

IUPAC: 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate

InChI: InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3

Composition: C (59.30%), H (4.68%), N (8.14%), O (27.88%)

Molar Mass: 344.323

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	344.100836243
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	UMQHJQGNGLQJPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.59
Topological Polar Surface Area	108.63
Polarizability	34.67
Ring Count	2
Rotatable Bond Count	5

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