4-(4-methylphenyl)-3-nitropyridin-2-amine

C12H11N3O2 — CID 138986311

IUPAC4-(4-methylphenyl)-3-nitropyridin-2-amine
SMILESCc1ccc(-c2ccnc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O2/c1-8-2-4-9(5-3-8)10-6-7-14-12(13)11(10)15(16)17/h2-7H,1H3,(H2,13,14)
InChIKeyWSBISPMASSJVGG-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.55
Rot. Bonds2

About 4-(4-methylphenyl)-3-nitropyridin-2-amine

4-(4-methylphenyl)-3-nitropyridin-2-amine (PubChem CID 138986311) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-nitropyridin-2-amine
PubChem CID138986311
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-(4-methylphenyl)-3-nitropyridin-2-amine
SMILESCc1ccc(-c2ccnc(N)c2[N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O2/c1-8-2-4-9(5-3-8)10-6-7-14-12(13)11(10)15(16)17/h2-7H,1H3,(H2,13,14)
InChIKeyWSBISPMASSJVGG-UHFFFAOYSA-N
XLogP2.55
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine
CID 175858045
3-nitro-4-pyridin-2-ylpyridin-2-amine
CID 118914696
1-[3-(2-amino-3-nitro-4-pyridinyl)phenyl]-2-hydroxyethanone
CID 134432821
1-[3-(2-amino-3-nitro-4-pyridinyl)-2-methylphenyl]-3-(4-methylphenyl)imidazol-2-one
CID 121250012
4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine
CID 145061520
3-methyl-4-nitropyridin-2-amine
CID 19758038
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
5-bromo-4-methyl-3-nitropyridin-2-amine;4-methyl-3-nitropyridin-2-amine
CID 161111660
4-[2-(4-amino-2,3-dimethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 118242644
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
ethane;methyl 6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]pyridine-3-carboxylate
CID 155730451
2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
CID 155357005

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-(4-methylphenyl)-3-nitropyridin-2-amine (CID 138986311) is 4-(4-methylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-3-nitropyridin-2-amine is Cc1ccc(-c2ccnc(N)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-nitropyridin-2-amine?
The InChIKey is WSBISPMASSJVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-2-4-9(5-3-8)10-6-7-14-12(13)11(10)15(16)17/h2-7H,1H3,(H2,13,14).
What are the key properties of 4-(4-methylphenyl)-3-nitropyridin-2-amine?
4-(4-methylphenyl)-3-nitropyridin-2-amine has a molecular weight of 229.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 138986311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).