2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile

C12H10BrN3S — CID 4634156

IUPAC2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(Br)s2)c1C
InChIInChI=1S/C12H10BrN3S/c1-6-7(2)16-12(15)8(5-14)11(6)9-3-4-10(13)17-9/h3-4H,1-2H3,(H2,15,16)
InChIKeyBVPIOKZLJYPNLL-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.64
Rot. Bonds1

About 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile

2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 4634156) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile
PubChem CID4634156
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(Br)s2)c1C
InChIInChI=1S/C12H10BrN3S/c1-6-7(2)16-12(15)8(5-14)11(6)9-3-4-10(13)17-9/h3-4H,1-2H3,(H2,15,16)
InChIKeyBVPIOKZLJYPNLL-UHFFFAOYSA-N
XLogP3.64
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,6-di(2-thienyl)nicotinonitrile
CID 2817024
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 750693
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-(4-fluoro-phenyl)-5-methyl-4-thiophen-2-yl-nicotinonitrile
CID 936317
2-Amino-4-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 794068
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
2-Amino-4-(5-tert-butyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 822490
2-Amino-4-(5-butylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1912665
2-Amino-4-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3771272
2-Amino-5-methyl-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 934303
2-Amino-5-ethyl-6-phenyl-4-(thiophen-2-yl)pyridine-3-carbonitrile
CID 937999

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile (CID 4634156) is 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccc(Br)s2)c1C.
What is the InChIKey of 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is BVPIOKZLJYPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c1-6-7(2)16-12(15)8(5-14)11(6)9-3-4-10(13)17-9/h3-4H,1-2H3,(H2,15,16).
What are the key properties of 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile?
2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 308.20 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromothiophen-2-yl)-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 4634156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).