3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile

C15H10ClN3O — CID 84760083

IUPAC3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(COc2ccccc2Cl)n2ccccc12
InChIInChI=1S/C15H10ClN3O/c16-11-5-1-2-7-14(11)20-10-15-18-12(9-17)13-6-3-4-8-19(13)15/h1-8H,10H2
InChIKeyFEKWNYPWSNNITM-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.44
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile

3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 84760083) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID84760083
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(COc2ccccc2Cl)n2ccccc12
InChIInChI=1S/C15H10ClN3O/c16-11-5-1-2-7-14(11)20-10-15-18-12(9-17)13-6-3-4-8-19(13)15/h1-8H,10H2
InChIKeyFEKWNYPWSNNITM-UHFFFAOYSA-N
XLogP3.44
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile (CID 84760083) is 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(COc2ccccc2Cl)n2ccccc12.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is FEKWNYPWSNNITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-11-5-1-2-7-14(11)20-10-15-18-12(9-17)13-6-3-4-8-19(13)15/h1-8H,10H2.
What are the key properties of 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile?
3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 84760083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).