1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine

C12H9ClN2O — CID 117250495

IUPAC1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine
SMILESCc1cccc2c(Cl)nc(-c3ccco3)n12
InChIInChI=1S/C12H9ClN2O/c1-8-4-2-5-9-11(13)14-12(15(8)9)10-6-3-7-16-10/h2-7H,1H3
InChIKeyPFVCGYVCHZFNDB-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.56
Rot. Bonds1

About 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine

1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine (PubChem CID 117250495) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine
PubChem CID117250495
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine
SMILESCc1cccc2c(Cl)nc(-c3ccco3)n12
InChIInChI=1S/C12H9ClN2O/c1-8-4-2-5-9-11(13)14-12(15(8)9)10-6-3-7-16-10/h2-7H,1H3
InChIKeyPFVCGYVCHZFNDB-UHFFFAOYSA-N
XLogP3.56
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine (CID 117250495) is 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine is Cc1cccc2c(Cl)nc(-c3ccco3)n12.
What is the InChIKey of 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine?
The InChIKey is PFVCGYVCHZFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-4-2-5-9-11(13)14-12(15(8)9)10-6-3-7-16-10/h2-7H,1H3.
What are the key properties of 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine?
1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine has a molecular weight of 232.67 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine is sourced from PubChem (CID 117250495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).