3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde

C14H10FN3O — CID 117141154

IUPAC3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nnc(Cc3ccc(F)cc3)n12
InChIInChI=1S/C14H10FN3O/c15-11-6-4-10(5-7-11)8-14-17-16-13-3-1-2-12(9-19)18(13)14/h1-7,9H,8H2
InChIKeySRZYQWDIHJQEHP-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.27
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde

3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (PubChem CID 117141154) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
PubChem CID117141154
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nnc(Cc3ccc(F)cc3)n12
InChIInChI=1S/C14H10FN3O/c15-11-6-4-10(5-7-11)8-14-17-16-13-3-1-2-12(9-19)18(13)14/h1-7,9H,8H2
InChIKeySRZYQWDIHJQEHP-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.27
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-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (CID 117141154) is 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is O=Cc1cccc2nnc(Cc3ccc(F)cc3)n12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The InChIKey is SRZYQWDIHJQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-6-4-10(5-7-11)8-14-17-16-13-3-1-2-12(9-19)18(13)14/h1-7,9H,8H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde has a molecular weight of 255.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).