5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde

C15H10FN3O2 — CID 82194876

IUPAC5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2ccc(O)cc2)c1-c1ccccc1F
InChIInChI=1S/C15H10FN3O2/c16-13-4-2-1-3-12(13)15-14(9-20)17-18-19(15)10-5-7-11(21)8-6-10/h1-9,21H
InChIKeyNQADHNXSOBBLEY-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.59
Rot. Bonds3

About 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde

5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde (PubChem CID 82194876) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde
PubChem CID82194876
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2ccc(O)cc2)c1-c1ccccc1F
InChIInChI=1S/C15H10FN3O2/c16-13-4-2-1-3-12(13)15-14(9-20)17-18-19(15)10-5-7-11(21)8-6-10/h1-9,21H
InChIKeyNQADHNXSOBBLEY-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
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 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde?
The IUPAC name of 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde (CID 82194876) is 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde?
The canonical SMILES for 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde is O=Cc1nnn(-c2ccc(O)cc2)c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde?
The InChIKey is NQADHNXSOBBLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-13-4-2-1-3-12(13)15-14(9-20)17-18-19(15)10-5-7-11(21)8-6-10/h1-9,21H.
What are the key properties of 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde?
5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde has a molecular weight of 283.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-(4-hydroxyphenyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82194876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).