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6-(3-methoxyphenyl)-3-nitropyridin-2-amine

6-(3-methoxyphenyl)-3-nitropyridin-2-amine

CAS: 1410821-10-1

Formula: C12H11N3O3

SMILES: COC1=CC=CC(=C1)C1=NC(N)=C(C=C1)[N+]([O-])=O

IUPAC: 6-(3-methoxyphenyl)-3-nitropyridin-2-amine

InChI: InChI=1S/C12H11N3O3/c1-18-9-4-2-3-8(7-9)10-5-6-11(15(16)17)12(13)14-10/h2-7H,1H3,(H2,13,14)

Composition: C (58.77%), H (4.52%), N (17.13%), O (19.57%)

Molar Mass: 245.238

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.080041226
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey IHAULJOVNZTPOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.46
Topological Polar Surface Area 91.28
Polarizability 25.9
Ring Count 2
Rotatable Bond Count 3

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