2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine

C14H11N3O3 — CID 828035

IUPAC2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O3/c1-20-13-6-5-10(8-12(13)17(18)19)11-9-16-7-3-2-4-14(16)15-11/h2-9H,1H3
InChIKeyRTJPLJJBIWFNSZ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine

2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 828035) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID828035
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O3/c1-20-13-6-5-10(8-12(13)17(18)19)11-9-16-7-3-2-4-14(16)15-11/h2-9H,1H3
InChIKeyRTJPLJJBIWFNSZ-UHFFFAOYSA-N
XLogP2.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
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-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine (CID 828035) is 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is RTJPLJJBIWFNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-13-6-5-10(8-12(13)17(18)19)11-9-16-7-3-2-4-14(16)15-11/h2-9H,1H3.
What are the key properties of 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine?
2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 269.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 828035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).