6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

C14H11N3O2 — CID 749917

IUPAC6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1
InChIInChI=1S/C14H11N3O2/c1-10-2-7-14-15-13(9-16(14)8-10)11-3-5-12(6-4-11)17(18)19/h2-9H,1H3
InChIKeyPCHSIVKWNPZZPW-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.22
Rot. Bonds2

About 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 749917) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID749917
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1
InChIInChI=1S/C14H11N3O2/c1-10-2-7-14-15-13(9-16(14)8-10)11-3-5-12(6-4-11)17(18)19/h2-9H,1H3
InChIKeyPCHSIVKWNPZZPW-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 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (CID 749917) is 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1.
What is the InChIKey of 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is PCHSIVKWNPZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-2-7-14-15-13(9-16(14)8-10)11-3-5-12(6-4-11)17(18)19/h2-9H,1H3.
What are the key properties of 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
6-methyl-2-(4-nitrophenyl)imidazo[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 6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 749917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).