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

C7H4BrN3O — CID 82391567

IUPAC3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(Br)nnc2c1
InChIInChI=1S/C7H4BrN3O/c8-7-10-9-6-3-5(4-12)1-2-11(6)7/h1-4H
InChIKeyIJFLBAPWCMXXMQ-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.30
Rot. Bonds1

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

3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 82391567) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID82391567
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(Br)nnc2c1
InChIInChI=1S/C7H4BrN3O/c8-7-10-9-6-3-5(4-12)1-2-11(6)7/h1-4H
InChIKeyIJFLBAPWCMXXMQ-UHFFFAOYSA-N
XLogP1.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.30
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 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 82391567) is 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(Br)nnc2c1.
What is the InChIKey of 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is IJFLBAPWCMXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-7-10-9-6-3-5(4-12)1-2-11(6)7/h1-4H.
What are the key properties of 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 226.03 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 82391567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).