1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol

C14H13F2NO — CID 113446855

IUPAC1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H13F2NO/c15-14(16)12-5-1-4-11(8-12)13(18)7-10-3-2-6-17-9-10/h1-6,8-9,13-14,18H,7H2
InChIKeyGWRQLMWTNLYNFB-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.30
Rot. Bonds4

About 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol

1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol (PubChem CID 113446855) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
PubChem CID113446855
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H13F2NO/c15-14(16)12-5-1-4-11(8-12)13(18)7-10-3-2-6-17-9-10/h1-6,8-9,13-14,18H,7H2
InChIKeyGWRQLMWTNLYNFB-UHFFFAOYSA-N
XLogP3.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 104735818
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
1-[3-(difluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115527785
2-(4-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527782
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol (CID 113446855) is 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
The InChIKey is GWRQLMWTNLYNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-14(16)12-5-1-4-11(8-12)13(18)7-10-3-2-6-17-9-10/h1-6,8-9,13-14,18H,7H2.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol has a molecular weight of 249.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol is sourced from PubChem (CID 113446855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).