2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine

C11H14ClN3 — CID 130597330

IUPAC2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c(CCCl)nc2ccncc21
InChIInChI=1S/C11H14ClN3/c1-8(2)15-10-7-13-6-4-9(10)14-11(15)3-5-12/h4,6-8H,3,5H2,1-2H3
InChIKeyDVBJTQFQRTWFMK-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine

2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 130597330) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID130597330
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1c(CCCl)nc2ccncc21
InChIInChI=1S/C11H14ClN3/c1-8(2)15-10-7-13-6-4-9(10)14-11(15)3-5-12/h4,6-8H,3,5H2,1-2H3
InChIKeyDVBJTQFQRTWFMK-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine (CID 130597330) is 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1c(CCCl)nc2ccncc21.
What is the InChIKey of 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is DVBJTQFQRTWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8(2)15-10-7-13-6-4-9(10)14-11(15)3-5-12/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine?
2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 223.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 130597330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).