2-(2-chloroethyl)imidazo[1,2-a]pyridine

C9H9ClN2 — CID 15718181

IUPAC2-(2-chloroethyl)imidazo[1,2-a]pyridine
SMILESClCCc1cn2ccccc2n1
InChIInChI=1S/C9H9ClN2/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4-5H2
InChIKeyIPDKTIYNQLTIGA-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-chloroethyl)imidazo[1,2-a]pyridine

2-(2-chloroethyl)imidazo[1,2-a]pyridine (PubChem CID 15718181) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)imidazo[1,2-a]pyridine
PubChem CID15718181
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name2-(2-chloroethyl)imidazo[1,2-a]pyridine
SMILESClCCc1cn2ccccc2n1
InChIInChI=1S/C9H9ClN2/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4-5H2
InChIKeyIPDKTIYNQLTIGA-UHFFFAOYSA-N
XLogP2.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(2-chloroethyl)imidazo[1,2-a]pyridine (CID 15718181) is 2-(2-chloroethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2-chloroethyl)imidazo[1,2-a]pyridine is ClCCc1cn2ccccc2n1.
What is the InChIKey of 2-(2-chloroethyl)imidazo[1,2-a]pyridine?
The InChIKey is IPDKTIYNQLTIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c10-5-4-8-7-12-6-2-1-3-9(12)11-8/h1-3,6-7H,4-5H2.
What are the key properties of 2-(2-chloroethyl)imidazo[1,2-a]pyridine?
2-(2-chloroethyl)imidazo[1,2-a]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 15718181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).