6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine

C11H12Cl2N2 — CID 22335107

IUPAC6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine
SMILESCCCc1c(CCl)nc2ccc(Cl)cn12
InChIInChI=1S/C11H12Cl2N2/c1-2-3-10-9(6-12)14-11-5-4-8(13)7-15(10)11/h4-5,7H,2-3,6H2,1H3
InChIKeyKWKFNQPSXFWXIR-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.68
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine

6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine (PubChem CID 22335107) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine
PubChem CID22335107
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine
SMILESCCCc1c(CCl)nc2ccc(Cl)cn12
InChIInChI=1S/C11H12Cl2N2/c1-2-3-10-9(6-12)14-11-5-4-8(13)7-15(10)11/h4-5,7H,2-3,6H2,1H3
InChIKeyKWKFNQPSXFWXIR-UHFFFAOYSA-N
XLogP3.68
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.68
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 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine (CID 22335107) is 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine is CCCc1c(CCl)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine?
The InChIKey is KWKFNQPSXFWXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-2-3-10-9(6-12)14-11-5-4-8(13)7-15(10)11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine?
6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine has a molecular weight of 243.14 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22335107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).