COC1=C(C=C(C=N1)[N+](=O)[O-])C2=CC=CC=C2
Name: 2-methoxy-5-nitro-3-phenylpyridine
SMILES: COC1=C(C=C(C=N1)[N+](=O)[O-])C2=CC=CC=C2

Molecular Processing

Molecular formula
C12H10N2O3
Molecular weight
230.22
Exact mass
230.0691
XLogP
2.67
TPSA
65.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.88

Supplementary Information

InChIKey: JTRAXVVJPQUHFJ-UHFFFAOYSA-N
Synonyme
2-methoxy-5-nitro-3-phenylpyridineSCHEMBL2404284JTRAXVVJPQUHFJ-UHFFFAOYSA-N
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