2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

C14H10ClN3O — CID 117137330

IUPAC2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(Cc3ccccc3Cl)nc12
InChIInChI=1S/C14H10ClN3O/c15-12-6-2-1-4-10(12)8-13-16-14-11(9-19)5-3-7-18(14)17-13/h1-7,9H,8H2
InChIKeyOLHOLUMSJFBVHC-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117137330) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117137330
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(Cc3ccccc3Cl)nc12
InChIInChI=1S/C14H10ClN3O/c15-12-6-2-1-4-10(12)8-13-16-14-11(9-19)5-3-7-18(14)17-13/h1-7,9H,8H2
InChIKeyOLHOLUMSJFBVHC-UHFFFAOYSA-N
XLogP2.79
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 117137330) is 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is O=Cc1cccn2nc(Cc3ccccc3Cl)nc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is OLHOLUMSJFBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-6-2-1-4-10(12)8-13-16-14-11(9-19)5-3-7-18(14)17-13/h1-7,9H,8H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 271.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117137330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).