4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde

C19H13FN4O — CID 87228704

IUPAC4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc3nnn(Cc4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H13FN4O/c20-16-7-3-13(4-8-16)11-24-19-18(22-23-24)10-9-17(21-19)15-5-1-14(12-25)2-6-15/h1-10,12H,11H2
InChIKeyQSLVVOIJKRJHGX-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.49
Rot. Bonds4

About 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde

4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde (PubChem CID 87228704) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde
PubChem CID87228704
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc3nnn(Cc4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H13FN4O/c20-16-7-3-13(4-8-16)11-24-19-18(22-23-24)10-9-17(21-19)15-5-1-14(12-25)2-6-15/h1-10,12H,11H2
InChIKeyQSLVVOIJKRJHGX-UHFFFAOYSA-N
XLogP3.49
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde (CID 87228704) is 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde is O=Cc1ccc(-c2ccc3nnn(Cc4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde?
The InChIKey is QSLVVOIJKRJHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-16-7-3-13(4-8-16)11-24-19-18(22-23-24)10-9-17(21-19)15-5-1-14(12-25)2-6-15/h1-10,12H,11H2.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde?
4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde has a molecular weight of 332.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]benzaldehyde is sourced from PubChem (CID 87228704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).