3,4-dimethyl-5-nitropyridine

3,4-dimethyl-5-nitropyridine

CAS: 65169-36-0

Formula: C7H8N2O2

SMILES: CC1=CN=CC(=C1C)[N+]([O-])=O

IUPAC: 3,4-dimethyl-5-nitropyridine

InChI: InChI=1S/C7H8N2O2/c1-5-3-8-4-7(6(5)2)9(10)11/h3-4H,1-2H3

Composition: C (55.26%), H (5.30%), N (18.41%), O (21.03%)

Molar Mass: 152.153

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.058577506
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YBGDWMNIMXOAHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.3
Topological Polar Surface Area	56.03
Polarizability	14.86
Ring Count	1
Rotatable Bond Count	1

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