2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol

C17H16F2N4O — CID 167746540

IUPAC2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
SMILESC[C@H](c1ccc(F)cc1F)n1cc(CC(O)c2ccccn2)nn1
InChIInChI=1S/C17H16F2N4O/c1-11(14-6-5-12(18)8-15(14)19)23-10-13(21-22-23)9-17(24)16-4-2-3-7-20-16/h2-8,10-11,17,24H,9H2,1H3/t11-,17?/m1/s1
InChIKeyVXQIUIMUBGBLKI-VCQTYVLVSA-N
MW330.34 g/mol
LogP2.84
Rot. Bonds5

About 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol

2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol (PubChem CID 167746540) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
PubChem CID167746540
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
SMILESC[C@H](c1ccc(F)cc1F)n1cc(CC(O)c2ccccn2)nn1
InChIInChI=1S/C17H16F2N4O/c1-11(14-6-5-12(18)8-15(14)19)23-10-13(21-22-23)9-17(24)16-4-2-3-7-20-16/h2-8,10-11,17,24H,9H2,1H3/t11-,17?/m1/s1
InChIKeyVXQIUIMUBGBLKI-VCQTYVLVSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889
2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide
CID 167962205
2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine
CID 139019613
1,2-dipyridin-2-ylethanol
CID 11458306
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
CID 116824693
2-[3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine
CID 139661661
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
1-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460513
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 167932682

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol?
The IUPAC name of 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol (CID 167746540) is 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol is C[C@H](c1ccc(F)cc1F)n1cc(CC(O)c2ccccn2)nn1.
What is the InChIKey of 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol?
The InChIKey is VXQIUIMUBGBLKI-VCQTYVLVSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-11(14-6-5-12(18)8-15(14)19)23-10-13(21-22-23)9-17(24)16-4-2-3-7-20-16/h2-8,10-11,17,24H,9H2,1H3/t11-,17?/m1/s1.
What are the key properties of 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol?
2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol has a molecular weight of 330.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol is sourced from PubChem (CID 167746540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).