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

C12H11N3O3 — CID 67692647

IUPAC2-(3-methoxyphenyl)-3-nitropyridin-4-amine
SMILESCOc1cccc(-c2nccc(N)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-18-9-4-2-3-8(7-9)11-12(15(16)17)10(13)5-6-14-11/h2-7H,1H3,(H2,13,14)
InChIKeyFZNOBNIJBZMZAP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.25
Rot. Bonds3

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

2-(3-methoxyphenyl)-3-nitropyridin-4-amine (PubChem CID 67692647) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-nitropyridin-4-amine
PubChem CID67692647
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(3-methoxyphenyl)-3-nitropyridin-4-amine
SMILESCOc1cccc(-c2nccc(N)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H11N3O3/c1-18-9-4-2-3-8(7-9)11-12(15(16)17)10(13)5-6-14-11/h2-7H,1H3,(H2,13,14)
InChIKeyFZNOBNIJBZMZAP-UHFFFAOYSA-N
XLogP2.25
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-3-nitropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
CID 69134185
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
7-methoxy-3-(4-methoxyphenyl)-4-nitroisoquinolin-1-amine
CID 67404437
4-(3-methoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 59619134
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850813
6-chloro-2-N-(3-methoxyphenyl)-3-nitropyridine-2,4-diamine
CID 3133244
2-(dimethylamino)-8-(3-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 134810406
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-nitropyridin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-3-nitropyridin-4-amine (CID 67692647) is 2-(3-methoxyphenyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-nitropyridin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-nitropyridin-4-amine is COc1cccc(-c2nccc(N)c2[N+](=O)[O-])c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-nitropyridin-4-amine?
The InChIKey is FZNOBNIJBZMZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-9-4-2-3-8(7-9)11-12(15(16)17)10(13)5-6-14-11/h2-7H,1H3,(H2,13,14).
What are the key properties of 2-(3-methoxyphenyl)-3-nitropyridin-4-amine?
2-(3-methoxyphenyl)-3-nitropyridin-4-amine has a molecular weight of 245.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 67692647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).