[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol

C13H9F4NO — CID 133089792

IUPAC[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESOCc1cc(F)ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F4NO/c14-12-5-9(7-19)11(6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-6,19H,7H2
InChIKeyOSUCARVJJBYEDA-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.40
Rot. Bonds2

About [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol

[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (PubChem CID 133089792) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
PubChem CID133089792
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESOCc1cc(F)ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F4NO/c14-12-5-9(7-19)11(6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-6,19H,7H2
InChIKeyOSUCARVJJBYEDA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134636305
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089786
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
2-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091895
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
[2-amino-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134618432
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134619576
[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc
CID 158536023
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134629724

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (CID 133089792) is [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is OCc1cc(F)ncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The InChIKey is OSUCARVJJBYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c14-12-5-9(7-19)11(6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-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 [2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 133089792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).