6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine

C15H10F3N3 — CID 102716704

IUPAC6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2cncc3ccccc23)n1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-5-13(21-14(19)6-10)12-8-20-7-9-3-1-2-4-11(9)12/h1-8H,(H2,19,21)
InChIKeyVHVRRRYIZCSWJA-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.90
Rot. Bonds1

About 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine

6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716704) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716704
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(-c2cncc3ccccc23)n1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-5-13(21-14(19)6-10)12-8-20-7-9-3-1-2-4-11(9)12/h1-8H,(H2,19,21)
InChIKeyVHVRRRYIZCSWJA-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716550
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]isoquinoline
CID 106768905
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102716845
4-ethyl-6-isoquinolin-4-ylpyrimidin-2-amine
CID 158107406
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
3-isoquinolin-4-ylaniline
CID 22724137
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
4-[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]isoquinoline
CID 121458645
6-(3-bromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716854
6-(2,6-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716908
6-(2-phenylethynyl)-4-(trifluoromethyl)pyridin-2-amine
CID 86694420
2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline
CID 67365445

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine (CID 102716704) is 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(-c2cncc3ccccc23)n1.
What is the InChIKey of 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VHVRRRYIZCSWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)10-5-13(21-14(19)6-10)12-8-20-7-9-3-1-2-4-11(9)12/h1-8H,(H2,19,21).
What are the key properties of 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.26 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-4-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).