5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

C7H4ClN3O — CID 169206219

IUPAC5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1cc(Cl)n2cnnc2c1
InChIInChI=1S/C7H4ClN3O/c8-6-1-5(3-12)2-7-10-9-4-11(6)7/h1-4H
InChIKeyXUEWUBJPFAAFDR-UHFFFAOYSA-N
MW181.58 g/mol
LogP1.20
Rot. Bonds1

About 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 169206219) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID169206219
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1cc(Cl)n2cnnc2c1
InChIInChI=1S/C7H4ClN3O/c8-6-1-5(3-12)2-7-10-9-4-11(6)7/h1-4H
InChIKeyXUEWUBJPFAAFDR-UHFFFAOYSA-N
XLogP1.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 169206219) is 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1cc(Cl)n2cnnc2c1.
What is the InChIKey of 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is XUEWUBJPFAAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-6-1-5(3-12)2-7-10-9-4-11(6)7/h1-4H.
What are the key properties of 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 181.58 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 169206219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).