2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C20H11F3N4 — CID 5229657

IUPAC2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3C(F)(F)F)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H11F3N4/c21-20(22,23)17-4-2-1-3-14(17)15-9-18(27-19(26)16(15)11-25)13-7-5-12(10-24)6-8-13/h1-9H,(H2,26,27)
InChIKeyOLEGXLLTYXVKGB-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.76
Rot. Bonds2

About 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 5229657) has the molecular formula C20H11F3N4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID5229657
Molecular FormulaC20H11F3N4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3C(F)(F)F)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H11F3N4/c21-20(22,23)17-4-2-1-3-14(17)15-9-18(27-19(26)16(15)11-25)13-7-5-12(10-24)6-8-13/h1-9H,(H2,26,27)
InChIKeyOLEGXLLTYXVKGB-UHFFFAOYSA-N
XLogP4.76
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3464753
2-amino-4-(2-fluorophenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3355373
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
CID 5120562
(2,2,2-trifluoroacetyl) 4-[6-amino-5-cyano-4-(2-fluorophenyl)-2-pyridinyl]benzoate
CID 87964140
2-amino-6-(4-fluorophenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
CID 3358943
2-amino-4-(2-fluorophenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118076
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 5157022
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 5229657) is 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cc(-c3ccccc3C(F)(F)F)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is OLEGXLLTYXVKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4/c21-20(22,23)17-4-2-1-3-14(17)15-9-18(27-19(26)16(15)11-25)13-7-5-12(10-24)6-8-13/h1-9H,(H2,26,27).
What are the key properties of 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 364.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 5229657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).