2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

C15H11BrN4OS — CID 28622154

IUPAC2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN4OS/c16-10-3-1-9(2-4-10)13-11(7-17)14(19)20-15(12(13)8-18)22-6-5-21/h1-4,21H,5-6H2,(H2,19,20)
InChIKeyRANSAJMZTLPDEX-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.92
Rot. Bonds4

About 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 28622154) has the molecular formula C15H11BrN4OS and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID28622154
Molecular FormulaC15H11BrN4OS
Molecular Weight375.25 g/mol
Exact Mass373.98
IUPAC Name2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN4OS/c16-10-3-1-9(2-4-10)13-11(7-17)14(19)20-15(12(13)8-18)22-6-5-21/h1-4,21H,5-6H2,(H2,19,20)
InChIKeyRANSAJMZTLPDEX-UHFFFAOYSA-N
XLogP2.92
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
2-amino-4-(3,5-dihydroxyphenyl)-6-(3-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739840
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 135980988
2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739870
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-(2-methoxyethylsulfanyl)pyridine-3,5-dicarbonitrile;ethane
CID 169151765
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53270244
2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 1387121
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-4-(4-chlorophenyl)-6-(2-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739701
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-amino-6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile
CID 58739776

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 28622154) is 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(Br)cc1.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is RANSAJMZTLPDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4OS/c16-10-3-1-9(2-4-10)13-11(7-17)14(19)20-15(12(13)8-18)22-6-5-21/h1-4,21H,5-6H2,(H2,19,20).
What are the key properties of 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 375.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 28622154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).