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5-methyl-2-nitropyridine

5-methyl-2-nitropyridine

CAS: 1074-38-0

Formula: C6H6N2O2

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

IUPAC: 5-methyl-2-nitropyridine

InChI: InChI=1S/C6H6N2O2/c1-5-2-3-6(7-4-5)8(9)10/h2-4H,1H3

Composition: C (52.17%), H (4.38%), N (20.28%), O (23.17%)

Molar Mass: 138.126

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 138.042927441
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FISOVIVSROCTBV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.58
Topological Polar Surface Area 56.03
Polarizability 13.12
Ring Count 1
Rotatable Bond Count 1

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