2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol

C17H16F2N4O — CID 18956518

IUPAC2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(c1cccnc1)C(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N4O/c1-12(13-3-2-6-20-8-13)17(24,9-23-11-21-10-22-23)15-5-4-14(18)7-16(15)19/h2-8,10-12,24H,9H2,1H3
InChIKeyQQQCJDLPQCOGMY-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.64
Rot. Bonds5

About 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol

2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 18956518) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID18956518
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(c1cccnc1)C(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2N4O/c1-12(13-3-2-6-20-8-13)17(24,9-23-11-21-10-22-23)15-5-4-14(18)7-16(15)19/h2-8,10-12,24H,9H2,1H3
InChIKeyQQQCJDLPQCOGMY-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Voriconazole
CID 71616
alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
CID 5231054
(3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CID 69155711
1-methyl-3-(3-pyridyl)-5-(2-hydroxymethylphenyl)-1H-1,2,4-triazole
CID 68702
2-(2,4-Difluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 44409786
1-[4-[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 44409914
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(triazol-1-yl)butan-2-ol
CID 25132380
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[2-[4-(2,2,2-trifluoroethylamino)phenyl]ethynyl]-2-pyridinyl]propan-2-ol
CID 89619588
1-(5-Bromo-2-pyridyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 485888
2-(2,4-Difluorophenyl)-1,1-difluoro-1-pyrimidin-2-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 485890
US10800776, Example 21
CID 132159527
Voriconazole N-Oxide
CID 10044355

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 18956518) is 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(c1cccnc1)C(O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is QQQCJDLPQCOGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-12(13-3-2-6-20-8-13)17(24,9-23-11-21-10-22-23)15-5-4-14(18)7-16(15)19/h2-8,10-12,24H,9H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 330.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-pyridin-3-yl-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 18956518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).