3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine

C11H14ClN3 — CID 130597335

IUPAC3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
SMILESCCC(C)n1c(CCl)nc2ccncc21
InChIInChI=1S/C11H14ClN3/c1-3-8(2)15-10-7-13-5-4-9(10)14-11(15)6-12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJCSLQMDLZZWZTG-UHFFFAOYSA-N
MW223.71 g/mol
LogP3.14
Rot. Bonds3

About 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine

3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine (PubChem CID 130597335) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
PubChem CID130597335
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
SMILESCCC(C)n1c(CCl)nc2ccncc21
InChIInChI=1S/C11H14ClN3/c1-3-8(2)15-10-7-13-5-4-9(10)14-11(15)6-12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJCSLQMDLZZWZTG-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine (CID 130597335) is 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine is CCC(C)n1c(CCl)nc2ccncc21.
What is the InChIKey of 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine?
The InChIKey is JCSLQMDLZZWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-3-8(2)15-10-7-13-5-4-9(10)14-11(15)6-12/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine?
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine has a molecular weight of 223.71 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130597335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).