4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol

C10H8F3NO — CID 67393181

IUPAC4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H8F3NO/c1-7(15)2-4-9-5-3-8(6-14-9)10(11,12)13/h3,5-7,15H,1H3
InChIKeyWOKZPYCNOVRVFZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.83
Rot. Bonds

About 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol

4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol (PubChem CID 67393181) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
PubChem CID67393181
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H8F3NO/c1-7(15)2-4-9-5-3-8(6-14-9)10(11,12)13/h3,5-7,15H,1H3
InChIKeyWOKZPYCNOVRVFZ-UHFFFAOYSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-one
CID 67393469
ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine
CID 144614854
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol
CID 42544002
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
2-(3-chlorobutan-2-yl)-5-(trifluoromethyl)pyridine
CID 63202926
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201539
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
The IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol (CID 67393181) is 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
The canonical SMILES for 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol is CC(O)C#Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
The InChIKey is WOKZPYCNOVRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-7(15)2-4-9-5-3-8(6-14-9)10(11,12)13/h3,5-7,15H,1H3.
What are the key properties of 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol?
4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol has a molecular weight of 215.17 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2-pyridinyl]but-3-yn-2-ol is sourced from PubChem (CID 67393181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).