2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

C14H10ClN3O — CID 117130450

IUPAC2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3ccccc3Cl)nn2c1
InChIInChI=1S/C14H10ClN3O/c15-12-4-2-1-3-11(12)7-13-16-14-6-5-10(9-19)8-18(14)17-13/h1-6,8-9H,7H2
InChIKeyDUUOZOHXPOXGLD-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.79
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117130450) 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-6-carbaldehyde.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117130450
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cc3ccccc3Cl)nn2c1
InChIInChI=1S/C14H10ClN3O/c15-12-4-2-1-3-11(12)7-13-16-14-6-5-10(9-19)8-18(14)17-13/h1-6,8-9H,7H2
InChIKeyDUUOZOHXPOXGLD-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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Related Compounds

2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 115003847
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137330
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
5-chloro-2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132736
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129197
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916
2-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129065
6-bromo-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130504
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130058
2-[(2-hydroxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130452

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde (CID 117130450) is 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde is O=Cc1ccc2nc(Cc3ccccc3Cl)nn2c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is DUUOZOHXPOXGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-4-2-1-3-11(12)7-13-16-14-6-5-10(9-19)8-18(14)17-13/h1-6,8-9H,7H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde?
2-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-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-6-carbaldehyde is sourced from PubChem (CID 117130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).