3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

C14H10FN3O — CID 83966105

IUPAC3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESCc1cc(C=O)c2nnc(-c3cccc(F)c3)n2c1
InChIInChI=1S/C14H10FN3O/c1-9-5-11(8-19)14-17-16-13(18(14)7-9)10-3-2-4-12(15)6-10/h2-8H,1H3
InChIKeyUYSUAGVBAUNYOH-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.66
Rot. Bonds2

About 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde

3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (PubChem CID 83966105) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
PubChem CID83966105
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILESCc1cc(C=O)c2nnc(-c3cccc(F)c3)n2c1
InChIInChI=1S/C14H10FN3O/c1-9-5-11(8-19)14-17-16-13(18(14)7-9)10-3-2-4-12(15)6-10/h2-8H,1H3
InChIKeyUYSUAGVBAUNYOH-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'}

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Related Compounds

3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139789
2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde
CID 142366319
1-(2,3-dimethylphenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82195707
3-(3-chlorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39079992
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
5-(3-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbaldehyde
CID 82221315
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616217
3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83966085
5-(3-fluorophenyl)-1-(2-methylpropyl)triazole-4-carbaldehyde
CID 82208607
2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
CID 131870663

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde (CID 83966105) is 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is Cc1cc(C=O)c2nnc(-c3cccc(F)c3)n2c1.
What is the InChIKey of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
The InChIKey is UYSUAGVBAUNYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-9-5-11(8-19)14-17-16-13(18(14)7-9)10-3-2-4-12(15)6-10/h2-8H,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde?
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-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-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83966105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).