N-(2-methoxyphenyl)-5-nitropyridin-2-amine

C12H11N3O3 — CID 2849223

IUPACN-(2-methoxyphenyl)-5-nitropyridin-2-amine
SMILESCOc1ccccc1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H11N3O3/c1-18-11-5-3-2-4-10(11)14-12-7-6-9(8-13-12)15(16)17/h2-8H,1H3,(H,13,14)
InChIKeyXRMAQAOWAUVJRA-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.74
Rot. Bonds4

About N-(2-methoxyphenyl)-5-nitropyridin-2-amine

N-(2-methoxyphenyl)-5-nitropyridin-2-amine (PubChem CID 2849223) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-nitropyridin-2-amine
PubChem CID2849223
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(2-methoxyphenyl)-5-nitropyridin-2-amine
SMILESCOc1ccccc1Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H11N3O3/c1-18-11-5-3-2-4-10(11)14-12-7-6-9(8-13-12)15(16)17/h2-8H,1H3,(H,13,14)
InChIKeyXRMAQAOWAUVJRA-UHFFFAOYSA-N
XLogP2.74
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.74
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 N-(2-methoxyphenyl)-5-nitropyridin-2-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

N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
Bisanilinopyrimidine, 6f
CID 70702137
N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 7446717
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(2-Methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 2848878
(2-Methoxy-4-nitrophenyl)-3-pyrazin-2-yl-urea
CID 22046313
N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
N-(4-methoxyphenyl)-3-nitropyridin-4-amine
CID 2944858
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
2-[4-(2-Methoxyphenyl)piperazin-1-yl]pyrazine
CID 2573790
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-5-nitropyridin-2-amine (CID 2849223) is N-(2-methoxyphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-5-nitropyridin-2-amine is COc1ccccc1Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-methoxyphenyl)-5-nitropyridin-2-amine?
The InChIKey is XRMAQAOWAUVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-11-5-3-2-4-10(11)14-12-7-6-9(8-13-12)15(16)17/h2-8H,1H3,(H,13,14).
What are the key properties of N-(2-methoxyphenyl)-5-nitropyridin-2-amine?
N-(2-methoxyphenyl)-5-nitropyridin-2-amine has a molecular weight of 245.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 2849223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).