5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde

C10H8FN3O — CID 86664762

IUPAC5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde
SMILESCn1nnc(-c2ccccc2F)c1C=O
InChIInChI=1S/C10H8FN3O/c1-14-9(6-15)10(12-13-14)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyHTQSGKPNQZOONI-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.43
Rot. Bonds2

About 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde

5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde (PubChem CID 86664762) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde
PubChem CID86664762
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde
SMILESCn1nnc(-c2ccccc2F)c1C=O
InChIInChI=1S/C10H8FN3O/c1-14-9(6-15)10(12-13-14)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyHTQSGKPNQZOONI-UHFFFAOYSA-N
XLogP1.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.43
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 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde?
The IUPAC name of 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde (CID 86664762) is 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde?
The canonical SMILES for 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde is Cn1nnc(-c2ccccc2F)c1C=O.
What is the InChIKey of 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde?
The InChIKey is HTQSGKPNQZOONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-14-9(6-15)10(12-13-14)7-4-2-3-5-8(7)11/h2-6H,1H3.
What are the key properties of 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde?
5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-methyltriazole-4-carbaldehyde is sourced from PubChem (CID 86664762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).