[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol

C13H9F4NO — CID 133089809

IUPAC[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
SMILESOCc1nc(-c2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C13H9F4NO/c14-10-4-5-11(18-12(10)7-19)8-2-1-3-9(6-8)13(15,16)17/h1-6,19H,7H2
InChIKeySOWOKAYERNILJB-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.40
Rot. Bonds2

About [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol

[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol (PubChem CID 133089809) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
PubChem CID133089809
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
SMILESOCc1nc(-c2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C13H9F4NO/c14-10-4-5-11(18-12(10)7-19)8-2-1-3-9(6-8)13(15,16)17/h1-6,19H,7H2
InChIKeySOWOKAYERNILJB-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol (CID 133089809) is [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol is OCc1nc(-c2cccc(C(F)(F)F)c2)ccc1F.
What is the InChIKey of [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
The InChIKey is SOWOKAYERNILJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c14-10-4-5-11(18-12(10)7-19)8-2-1-3-9(6-8)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol?
[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol has a molecular weight of 271.21 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 133089809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).