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

C10H6Br2N2OS — CID 19419291

IUPAC2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile
SMILESCOn1c(Br)c(C#N)c(Br)c1-c1ccsc1
InChIInChI=1S/C10H6Br2N2OS/c1-15-14-9(6-2-3-16-5-6)8(11)7(4-13)10(14)12/h2-3,5H,1H3
InChIKeyUXGKESBLSMKVHF-UHFFFAOYSA-N
MW362.05 g/mol
LogP3.67
Rot. Bonds2

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

2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile (PubChem CID 19419291) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile
PubChem CID19419291
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile
SMILESCOn1c(Br)c(C#N)c(Br)c1-c1ccsc1
InChIInChI=1S/C10H6Br2N2OS/c1-15-14-9(6-2-3-16-5-6)8(11)7(4-13)10(14)12/h2-3,5H,1H3
InChIKeyUXGKESBLSMKVHF-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile?
The IUPAC name of 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile (CID 19419291) is 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile?
The canonical SMILES for 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile is COn1c(Br)c(C#N)c(Br)c1-c1ccsc1.
What is the InChIKey of 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile?
The InChIKey is UXGKESBLSMKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS/c1-15-14-9(6-2-3-16-5-6)8(11)7(4-13)10(14)12/h2-3,5H,1H3.
What are the key properties of 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile?
2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-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 2,4-dibromo-1-methoxy-5-thiophen-3-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 19419291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).