3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

C15H12ClN3O2 — CID 82029739

IUPAC3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1cccn2c(CCl)c(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C15H12ClN3O2/c1-10-3-2-8-18-13(9-16)14(17-15(10)18)11-4-6-12(7-5-11)19(20)21/h2-8H,9H2,1H3
InChIKeySTIGIXHJYDKPQP-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.96
Rot. Bonds3

About 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 82029739) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID82029739
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESCc1cccn2c(CCl)c(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C15H12ClN3O2/c1-10-3-2-8-18-13(9-16)14(17-15(10)18)11-4-6-12(7-5-11)19(20)21/h2-8H,9H2,1H3
InChIKeySTIGIXHJYDKPQP-UHFFFAOYSA-N
XLogP3.96
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (CID 82029739) is 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is Cc1cccn2c(CCl)c(-c3ccc([N+](=O)[O-])cc3)nc12.
What is the InChIKey of 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is STIGIXHJYDKPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-10-3-2-8-18-13(9-16)14(17-15(10)18)11-4-6-12(7-5-11)19(20)21/h2-8H,9H2,1H3.
What are the key properties of 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 301.73 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82029739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).