2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile

C20H11F3N4O — CID 136642954

IUPAC2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(-c2ccc(O)cc2)c(C#N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H11F3N4O/c21-20(22,23)13-5-1-11(2-6-13)17-15(9-24)18(27-19(26)16(17)10-25)12-3-7-14(28)8-4-12/h1-8,28H,(H2,26,27)
InChIKeyORSVWMQGDUSNTB-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.47
Rot. Bonds2

About 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile

2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 136642954) has the molecular formula C20H11F3N4O and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID136642954
Molecular FormulaC20H11F3N4O
Molecular Weight380.33 g/mol
Exact Mass380.09
IUPAC Name2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(-c2ccc(O)cc2)c(C#N)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H11F3N4O/c21-20(22,23)13-5-1-11(2-6-13)17-15(9-24)18(27-19(26)16(17)10-25)12-3-7-14(28)8-4-12/h1-8,28H,(H2,26,27)
InChIKeyORSVWMQGDUSNTB-UHFFFAOYSA-N
XLogP4.47
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-[3-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 71766459
2,4-diamino-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]pyrimidine-5-carbonitrile
CID 169396454
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-4-(4-methoxyphenyl)-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3,5-dicarbonitrile;ethane
CID 142055219
2-amino-6-(4-hydroxyphenyl)-5-methyl-4-(1H-pyrazol-5-yl)pyridine-3-carbonitrile
CID 169411353
4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039279
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568
4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039413
5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 24902916
4-(trifluoromethyl)(18F)phenol
CID 71660610
2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047938

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile (CID 136642954) is 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(-c2ccc(O)cc2)c(C#N)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is ORSVWMQGDUSNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O/c21-20(22,23)13-5-1-11(2-6-13)17-15(9-24)18(27-19(26)16(17)10-25)12-3-7-14(28)8-4-12/h1-8,28H,(H2,26,27).
What are the key properties of 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 380.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 136642954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).