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

C8H7ClN2 — CID 957614

IUPAC2-(chloromethyl)imidazo[1,2-a]pyridine
SMILESClCc1cn2ccccc2n1
InChIInChI=1S/C8H7ClN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5H2
InChIKeyLBCREEUWXFNSAC-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.07
Rot. Bonds1

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

2-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 957614) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID957614
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name2-(chloromethyl)imidazo[1,2-a]pyridine
SMILESClCc1cn2ccccc2n1
InChIInChI=1S/C8H7ClN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5H2
InChIKeyLBCREEUWXFNSAC-UHFFFAOYSA-N
XLogP2.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.07
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-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(chloromethyl)imidazo[1,2-a]pyridine (CID 957614) is 2-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(chloromethyl)imidazo[1,2-a]pyridine is ClCc1cn2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is LBCREEUWXFNSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c9-5-7-6-11-4-2-1-3-8(11)10-7/h1-4,6H,5H2.
What are the key properties of 2-(chloromethyl)imidazo[1,2-a]pyridine?
2-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 166.61 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 957614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).