3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile

C10H6Br2N2OS — CID 19419283

IUPAC3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile
SMILESCOn1c(C#N)c(Br)c(Br)c1-c1cccs1
InChIInChI=1S/C10H6Br2N2OS/c1-15-14-6(5-13)8(11)9(12)10(14)7-3-2-4-16-7/h2-4H,1H3
InChIKeyXNEGVMANMIISDE-UHFFFAOYSA-N
MW362.05 g/mol
LogP3.67
Rot. Bonds2

About 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile

3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile (PubChem CID 19419283) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile
PubChem CID19419283
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile
SMILESCOn1c(C#N)c(Br)c(Br)c1-c1cccs1
InChIInChI=1S/C10H6Br2N2OS/c1-15-14-6(5-13)8(11)9(12)10(14)7-3-2-4-16-7/h2-4H,1H3
InChIKeyXNEGVMANMIISDE-UHFFFAOYSA-N
XLogP3.67
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142766488
3-formyl-1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142766487
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 143926979
1-(5-chloro-2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 94938759
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
1-(2-methylprop-2-enyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 82210669
ethane;thiophene-2-carbonitrile
CID 143604797
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
methyl 4-cyano-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxylate
CID 2819151

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile?
The IUPAC name of 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile (CID 19419283) is 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile.
What is the SMILES notation for 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile?
The canonical SMILES for 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile is COn1c(C#N)c(Br)c(Br)c1-c1cccs1.
What is the InChIKey of 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile?
The InChIKey is XNEGVMANMIISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS/c1-15-14-6(5-13)8(11)9(12)10(14)7-3-2-4-16-7/h2-4H,1H3.
What are the key properties of 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile?
3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile has a molecular weight of 362.05 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1-methoxy-5-thiophen-2-ylpyrrole-2-carbonitrile is sourced from PubChem (CID 19419283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).