3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

C14H10FN3O — CID 83966085

IUPAC3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCc1cc2nnc(-c3ccc(F)cc3)n2cc1C=O
InChIInChI=1S/C14H10FN3O/c1-9-6-13-16-17-14(18(13)7-11(9)8-19)10-2-4-12(15)5-3-10/h2-8H,1H3
InChIKeyCSEZXSZTKFQXMA-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.66
Rot. Bonds2

About 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde

3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (PubChem CID 83966085) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
PubChem CID83966085
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
SMILESCc1cc2nnc(-c3ccc(F)cc3)n2cc1C=O
InChIInChI=1S/C14H10FN3O/c1-9-6-13-16-17-14(18(13)7-11(9)8-19)10-2-4-12(15)5-3-10/h2-8H,1H3
InChIKeyCSEZXSZTKFQXMA-UHFFFAOYSA-N
XLogP2.66
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethoxyphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83966090
2-(3,4-difluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965863
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
CID 138040683
3-(4-fluorophenyl)-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117143156
3-(4-bromophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061271
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
4-fluoro-2-methylbenzaldehyde
CID 2783217
1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde
CID 87481318
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 83966105
7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965837
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanone
CID 53196908
6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080056

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde (CID 83966085) is 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is Cc1cc2nnc(-c3ccc(F)cc3)n2cc1C=O.
What is the InChIKey of 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
The InChIKey is CSEZXSZTKFQXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-6-13-16-17-14(18(13)7-11(9)8-19)10-2-4-12(15)5-3-10/h2-8H,1H3.
What are the key properties of 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde?
3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde has a molecular weight of 255.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83966085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).