2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile

C17H12BrN3S — CID 5230853

IUPAC2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2cc(Br)cs2)c(C#N)c(N)n1
InChIInChI=1S/C17H12BrN3S/c1-10-4-2-3-5-12(10)15-7-13(14(8-19)17(20)21-15)16-6-11(18)9-22-16/h2-7,9H,1H3,(H2,20,21)
InChIKeyIMBYJJQHTUCPJX-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.00
Rot. Bonds2

About 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile

2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 5230853) has the molecular formula C17H12BrN3S and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
PubChem CID5230853
Molecular FormulaC17H12BrN3S
Molecular Weight370.28 g/mol
Exact Mass368.99
IUPAC Name2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2cc(Br)cs2)c(C#N)c(N)n1
InChIInChI=1S/C17H12BrN3S/c1-10-4-2-3-5-12(10)15-7-13(14(8-19)17(20)21-15)16-6-11(18)9-22-16/h2-7,9H,1H3,(H2,20,21)
InChIKeyIMBYJJQHTUCPJX-UHFFFAOYSA-N
XLogP5.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
2-amino-4-(2,4-dichlorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230671
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5230491
2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119571
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
2-amino-6-(2,4-dichlorophenyl)-4-(2-methylphenyl)pyridine-3-carbonitrile
CID 3389205
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-4-(4-chloro-3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230669
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile (CID 5230853) is 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile is Cc1ccccc1-c1cc(-c2cc(Br)cs2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is IMBYJJQHTUCPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3S/c1-10-4-2-3-5-12(10)15-7-13(14(8-19)17(20)21-15)16-6-11(18)9-22-16/h2-7,9H,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 370.28 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).