6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde

C14H9ClN2O — CID 84742339

IUPAC6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)n2cc(Cl)ccc12
InChIInChI=1S/C14H9ClN2O/c15-11-6-7-13-12(9-18)16-14(17(13)8-11)10-4-2-1-3-5-10/h1-9H
InChIKeyYFBOIYNCWAUIIL-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.47
Rot. Bonds2

About 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde

6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84742339) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84742339
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)n2cc(Cl)ccc12
InChIInChI=1S/C14H9ClN2O/c15-11-6-7-13-12(9-18)16-14(17(13)8-11)10-4-2-1-3-5-10/h1-9H
InChIKeyYFBOIYNCWAUIIL-UHFFFAOYSA-N
XLogP3.47
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84742339) is 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(-c2ccccc2)n2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is YFBOIYNCWAUIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-11-6-7-13-12(9-18)16-14(17(13)8-11)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde?
6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 256.69 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84742339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).