(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol

C13H12FNO — CID 93312266

IUPAC(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
SMILESO[C@@H](Cc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C13H12FNO/c14-12-5-3-10(4-6-12)8-13(16)11-2-1-7-15-9-11/h1-7,9,13,16H,8H2/t13-/m0/s1
InChIKeyIKXUVYRDLYKSCY-ZDUSSCGKSA-N
MW217.24 g/mol
LogP2.50
Rot. Bonds3

About (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol

(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol (PubChem CID 93312266) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
PubChem CID93312266
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
SMILESO[C@@H](Cc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C13H12FNO/c14-12-5-3-10(4-6-12)8-13(16)11-2-1-7-15-9-11/h1-7,9,13,16H,8H2/t13-/m0/s1
InChIKeyIKXUVYRDLYKSCY-ZDUSSCGKSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
1-(4-fluorophenyl)-2-(4-pyridin-4-ylphenyl)ethanol
CID 67902820
2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
CID 55096037
2-(4-fluorophenyl)-1-pyrimidin-2-ylethanol
CID 60798851
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol?
The IUPAC name of (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol (CID 93312266) is (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol.
What is the SMILES notation for (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol?
The canonical SMILES for (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol is O[C@@H](Cc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol?
The InChIKey is IKXUVYRDLYKSCY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12FNO/c14-12-5-3-10(4-6-12)8-13(16)11-2-1-7-15-9-11/h1-7,9,13,16H,8H2/t13-/m0/s1.
What are the key properties of (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol?
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol has a molecular weight of 217.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 93312266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).