1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol

C14H13F2NO — CID 104735818

IUPAC1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H13F2NO/c15-14(16)12-5-3-11(4-6-12)13(18)8-10-2-1-7-17-9-10/h1-7,9,13-14,18H,8H2
InChIKeyFVDJQDYLCKHPQL-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.30
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol

1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol (PubChem CID 104735818) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
PubChem CID104735818
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H13F2NO/c15-14(16)12-5-3-11(4-6-12)13(18)8-10-2-1-7-17-9-10/h1-7,9,13-14,18H,8H2
InChIKeyFVDJQDYLCKHPQL-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

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Related Compounds

1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855
1-(4-iodophenyl)-2-pyridin-3-ylethanol
CID 115832159
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
2-pyridin-3-yl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 104735698
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol (CID 104735818) is 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
The InChIKey is FVDJQDYLCKHPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-14(16)12-5-3-11(4-6-12)13(18)8-10-2-1-7-17-9-10/h1-7,9,13-14,18H,8H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol?
1-[4-(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-[4-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol is sourced from PubChem (CID 104735818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).