6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine

C14H9F3N2 — CID 86694420

IUPAC6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(C#Cc2ccccc2)n1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-8-12(19-13(18)9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H2,18,19)
InChIKeyOFZNUYRKIOAYIY-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.08
Rot. Bonds

About 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine

6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 86694420) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID86694420
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(C#Cc2ccccc2)n1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)11-8-12(19-13(18)9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H2,18,19)
InChIKeyOFZNUYRKIOAYIY-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.08
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

ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine
CID 144614854
6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
5,10-diphenyl-1,6-bis(2-phenylethynyl)-3,8-bis(trifluoromethyl)indeno[2,1-a]indene
CID 42611891
1-(3-phenylprop-2-ynyl)-3,5-bis(trifluoromethyl)benzene
CID 54756772
1-(4-phenylbuta-1,3-diynyl)-3-(trifluoromethyl)benzene
CID 102444082
6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102716704
3-(2-pyridin-4-ylethynyl)-5-(trifluoromethyl)aniline
CID 142477928
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720333
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102718398
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine (CID 86694420) is 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(C#Cc2ccccc2)n1.
What is the InChIKey of 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OFZNUYRKIOAYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)11-8-12(19-13(18)9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H2,18,19).
What are the key properties of 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine?
6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 86694420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).