1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine

C13H15ClN2O — CID 117252272

IUPAC1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
SMILESCc1cccn2c(C3CCOCC3)nc(Cl)c12
InChIInChI=1S/C13H15ClN2O/c1-9-3-2-6-16-11(9)12(14)15-13(16)10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyHQWUDNJGRBGKSA-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.19
Rot. Bonds1

About 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine

1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine (PubChem CID 117252272) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
PubChem CID117252272
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
SMILESCc1cccn2c(C3CCOCC3)nc(Cl)c12
InChIInChI=1S/C13H15ClN2O/c1-9-3-2-6-16-11(9)12(14)15-13(16)10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyHQWUDNJGRBGKSA-UHFFFAOYSA-N
XLogP3.19
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine (CID 117252272) is 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine is Cc1cccn2c(C3CCOCC3)nc(Cl)c12.
What is the InChIKey of 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
The InChIKey is HQWUDNJGRBGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-3-2-6-16-11(9)12(14)15-13(16)10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117252272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).