1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium

C14H12N3O2+ — CID 820943

IUPAC1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium
SMILESCn1c(-c2ccc([N+](=O)[O-])cc2)c[n+]2ccccc12
InChIInChI=1S/C14H12N3O2/c1-15-13(10-16-9-3-2-4-14(15)16)11-5-7-12(8-6-11)17(18)19/h2-10H,1H3/q+1
InChIKeyKDYFVLGUKIGTDA-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.34
Rot. Bonds2

About 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium

1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium (PubChem CID 820943) has the molecular formula C14H12N3O2+ and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium
PubChem CID820943
Molecular FormulaC14H12N3O2+
Molecular Weight254.27 g/mol
Exact Mass254.09
IUPAC Name1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium
SMILESCn1c(-c2ccc([N+](=O)[O-])cc2)c[n+]2ccccc12
InChIInChI=1S/C14H12N3O2/c1-15-13(10-16-9-3-2-4-14(15)16)11-5-7-12(8-6-11)17(18)19/h2-10H,1H3/q+1
InChIKeyKDYFVLGUKIGTDA-UHFFFAOYSA-N
XLogP2.34
TPSA52.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium 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 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium (CID 820943) is 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium is Cn1c(-c2ccc([N+](=O)[O-])cc2)c[n+]2ccccc12.
What is the InChIKey of 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium?
The InChIKey is KDYFVLGUKIGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3O2/c1-15-13(10-16-9-3-2-4-14(15)16)11-5-7-12(8-6-11)17(18)19/h2-10H,1H3/q+1.
What are the key properties of 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium?
1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium has a molecular weight of 254.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 820943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).