2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine

C14H11N3O2 — CID 852359

IUPAC2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1
InChIInChI=1S/C14H11N3O2/c1-10-2-4-11(5-3-10)13-9-16-8-12(17(18)19)6-7-14(16)15-13/h2-9H,1H3
InChIKeyOXZAYLSFLAKDTK-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.22
Rot. Bonds2

About 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine

2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine (PubChem CID 852359) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine
PubChem CID852359
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1
InChIInChI=1S/C14H11N3O2/c1-10-2-4-11(5-3-10)13-9-16-8-12(17(18)19)6-7-14(16)15-13/h2-9H,1H3
InChIKeyOXZAYLSFLAKDTK-UHFFFAOYSA-N
XLogP3.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine (CID 852359) is 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine is Cc1ccc(-c2cn3cc([N+](=O)[O-])ccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine?
The InChIKey is OXZAYLSFLAKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-2-4-11(5-3-10)13-9-16-8-12(17(18)19)6-7-14(16)15-13/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine?
2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine has a molecular weight of 253.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 852359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).