4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol

C10H8F3NO — CID 122242384

IUPAC4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol
SMILESOCCC#Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-4-5-14-9(7-8)3-1-2-6-15/h4-5,7,15H,2,6H2
InChIKeyHTSMXKWBKKTOJA-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.83
Rot. Bonds1

About 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol

4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol (PubChem CID 122242384) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol
PubChem CID122242384
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol
SMILESOCCC#Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)8-4-5-14-9(7-8)3-1-2-6-15/h4-5,7,15H,2,6H2
InChIKeyHTSMXKWBKKTOJA-UHFFFAOYSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

2,4-Dimethylpyridine
CID 7936
3-Pyridinepropanol
CID 17861
5-Ethyl-2-pyridineethanol
CID 78894
4-Pyridinepropanol
CID 72923
3-Pyridineethanol
CID 80515
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
4-(Aminomethyl)-2-(trifluoromethyl)pyridine
CID 55265285
(2-(Trifluoromethyl)pyridin-4-yl)methanamine hydrochloride
CID 70700688
2-Methyl-4-(pyridin-2-yl)but-3-yn-2-ol
CID 698810
4-Ethyl-2-methylpyridine
CID 68307
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
Pyridine, 2-methyl-4-(1-methylethenyl)
CID 529347

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol (CID 122242384) is 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol is OCCC#Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
The InChIKey is HTSMXKWBKKTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)8-4-5-14-9(7-8)3-1-2-6-15/h4-5,7,15H,2,6H2.
What are the key properties of 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol has a molecular weight of 215.17 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)-2-pyridinyl]but-3-yn-1-ol is sourced from PubChem (CID 122242384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).