1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine

C11H13ClN2 — CID 117251292

IUPAC1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCc1ccc2c(Cl)nc(C(C)C)n2c1
InChIInChI=1S/C11H13ClN2/c1-7(2)11-13-10(12)9-5-4-8(3)6-14(9)11/h4-7H,1-3H3
InChIKeyIYHJXDNTWRCFER-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.42
Rot. Bonds1

About 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine

1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine (PubChem CID 117251292) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine
PubChem CID117251292
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCc1ccc2c(Cl)nc(C(C)C)n2c1
InChIInChI=1S/C11H13ClN2/c1-7(2)11-13-10(12)9-5-4-8(3)6-14(9)11/h4-7H,1-3H3
InChIKeyIYHJXDNTWRCFER-UHFFFAOYSA-N
XLogP3.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine (CID 117251292) is 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine is Cc1ccc2c(Cl)nc(C(C)C)n2c1.
What is the InChIKey of 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine?
The InChIKey is IYHJXDNTWRCFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7(2)11-13-10(12)9-5-4-8(3)6-14(9)11/h4-7H,1-3H3.
What are the key properties of 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine?
1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine has a molecular weight of 208.69 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-methyl-3-propan-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117251292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).