[6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol

C17H17FN4O2 — CID 166556923

IUPAC[6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(CO)n1
InChIInChI=1S/C17H17FN4O2/c1-3-24-16-7-11(6-13(9-23)20-16)14-5-4-12(18)8-15(14)17-21-19-10-22(17)2/h4-8,10,23H,3,9H2,1-2H3
InChIKeyGEBCAYAZJLTUQC-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.57
Rot. Bonds5

About [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol

[6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol (PubChem CID 166556923) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol
PubChem CID166556923
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name[6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol
SMILESCCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(CO)n1
InChIInChI=1S/C17H17FN4O2/c1-3-24-16-7-11(6-13(9-23)20-16)14-5-4-12(18)8-15(14)17-21-19-10-22(17)2/h4-8,10,23H,3,9H2,1-2H3
InChIKeyGEBCAYAZJLTUQC-UHFFFAOYSA-N
XLogP2.57
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol (CID 166556923) is [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol is CCOc1cc(-c2ccc(F)cc2-c2nncn2C)cc(CO)n1.
What is the InChIKey of [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol?
The InChIKey is GEBCAYAZJLTUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-3-24-16-7-11(6-13(9-23)20-16)14-5-4-12(18)8-15(14)17-21-19-10-22(17)2/h4-8,10,23H,3,9H2,1-2H3.
What are the key properties of [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol?
[6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol has a molecular weight of 328.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethoxy-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 166556923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).