4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine

C14H8F3N — CID 171365545

IUPAC4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine
SMILESC#Cc1ccnc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H8F3N/c1-2-10-7-8-18-13(9-10)11-5-3-4-6-12(11)14(15,16)17/h1,3-9H
InChIKeyIWNPBHYTJBWSFZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.75
Rot. Bonds1

About 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine

4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 171365545) has the molecular formula C14H8F3N and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID171365545
Molecular FormulaC14H8F3N
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine
SMILESC#Cc1ccnc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H8F3N/c1-2-10-7-8-18-13(9-10)11-5-3-4-6-12(11)14(15,16)17/h1,3-9H
InChIKeyIWNPBHYTJBWSFZ-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722117
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
6-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
CID 58774788
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089617
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 118850193
4-ethynyl-2-(3-methylphenyl)pyridine
CID 171365551
5-[5-ethynyl-2-(trifluoromethyl)phenyl]pyrimidine
CID 166642960
4-ethynyl-2-(3-fluorophenyl)-1-(trifluoromethyl)benzene
CID 166642994
5-ethynyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 169493431

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine (CID 171365545) is 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine is C#Cc1ccnc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is IWNPBHYTJBWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N/c1-2-10-7-8-18-13(9-10)11-5-3-4-6-12(11)14(15,16)17/h1,3-9H.
What are the key properties of 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine?
4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 247.22 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 171365545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).