1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol

C15H13FN4O — CID 5302795

IUPAC1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H13FN4O/c16-13-6-4-12(5-7-13)15(21,9-20-11-17-10-19-20)14-3-1-2-8-18-14/h1-8,10-11,21H,9H2
InChIKeyMMDZEEKWCDQEKV-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.75
Rot. Bonds4

About 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol

1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 5302795) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID5302795
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H13FN4O/c16-13-6-4-12(5-7-13)15(21,9-20-11-17-10-19-20)14-3-1-2-8-18-14/h1-8,10-11,21H,9H2
InChIKeyMMDZEEKWCDQEKV-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol (CID 5302795) is 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is MMDZEEKWCDQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-6-4-12(5-7-13)15(21,9-20-11-17-10-19-20)14-3-1-2-8-18-14/h1-8,10-11,21H,9H2.
What are the key properties of 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol?
1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 284.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 5302795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).