2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile

C7H6BrClN2S — CID 102840089

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H6BrClN2S/c1-11-5(3-10)6-2-4(8)7(9)12-6/h2,5,11H,1H3
InChIKeyNFZGKGPECZCFJN-UHFFFAOYSA-N
MW265.56 g/mol
LogP2.95
Rot. Bonds2

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile

2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile (PubChem CID 102840089) has the molecular formula C7H6BrClN2S and a molecular weight of 265.56 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile
PubChem CID102840089
Molecular FormulaC7H6BrClN2S
Molecular Weight265.56 g/mol
Exact Mass263.91
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H6BrClN2S/c1-11-5(3-10)6-2-4(8)7(9)12-6/h2,5,11H,1H3
InChIKeyNFZGKGPECZCFJN-UHFFFAOYSA-N
XLogP2.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(butan-2-ylamino)acetonitrile
CID 102840398
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylanilino)acetonitrile
CID 102840124
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102828241
1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 102828331
1-(4-bromo-5-chlorothiophen-2-yl)-N,2,2-trimethylbutan-1-amine
CID 102828223
1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102828405

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile (CID 102840089) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile is CNC(C#N)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile?
The InChIKey is NFZGKGPECZCFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2S/c1-11-5(3-10)6-2-4(8)7(9)12-6/h2,5,11H,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile has a molecular weight of 265.56 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 102840089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).