[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol

C14H11FN4O — CID 56686720

IUPAC[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2F)c1-c1ccccn1
InChIInChI=1S/C14H11FN4O/c15-10-5-1-2-7-13(10)19-14(12(9-20)17-18-19)11-6-3-4-8-16-11/h1-8,20H,9H2
InChIKeyOFGVHTIGUWYCLU-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.96
Rot. Bonds3

About [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol

[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol (PubChem CID 56686720) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol
PubChem CID56686720
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2F)c1-c1ccccn1
InChIInChI=1S/C14H11FN4O/c15-10-5-1-2-7-13(10)19-14(12(9-20)17-18-19)11-6-3-4-8-16-11/h1-8,20H,9H2
InChIKeyOFGVHTIGUWYCLU-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol (CID 56686720) is [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol is OCc1nnn(-c2ccccc2F)c1-c1ccccn1.
What is the InChIKey of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
The InChIKey is OFGVHTIGUWYCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-10-5-1-2-7-13(10)19-14(12(9-20)17-18-19)11-6-3-4-8-16-11/h1-8,20H,9H2.
What are the key properties of [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol?
[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol has a molecular weight of 270.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 56686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).