2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

C14H10FN3O — CID 115003600

IUPAC2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2nc(Cc3ccc(F)cc3)nc2c1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-10(2-4-12)7-13-16-14-8-11(9-19)5-6-18(14)17-13/h1-6,8-9H,7H2
InChIKeyOIJZLENUYPLYLU-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.27
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 115003600) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
PubChem CID115003600
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2nc(Cc3ccc(F)cc3)nc2c1
InChIInChI=1S/C14H10FN3O/c15-12-3-1-10(2-4-12)7-13-16-14-8-11(9-19)5-6-18(14)17-13/h1-6,8-9H,7H2
InChIKeyOIJZLENUYPLYLU-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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Related Compounds

2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133878
2-(thiolan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133751
2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82566629
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
2-[(4-methoxyphenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566338
2-[(4-bromophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135150
[2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132793
2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (CID 115003600) is 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is O=Cc1ccn2nc(Cc3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is OIJZLENUYPLYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-3-1-10(2-4-12)7-13-16-14-8-11(9-19)5-6-18(14)17-13/h1-6,8-9H,7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-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 2-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 115003600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).