2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile

C6H3BrN4 — CID 610978

IUPAC2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(Br)c1C#N
InChIInChI=1S/C6H3BrN4/c7-5-3(1-8)4(2-9)6(10)11-5/h11H,10H2
InChIKeyYOKMIDCZQYUXOI-UHFFFAOYSA-N
MW211.02 g/mol
LogP1.10
Rot. Bonds

About 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile

2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile (PubChem CID 610978) has the molecular formula C6H3BrN4 and a molecular weight of 211.02 g/mol. Its IUPAC name is 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
PubChem CID610978
Molecular FormulaC6H3BrN4
Molecular Weight211.02 g/mol
Exact Mass209.95
IUPAC Name2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(Br)c1C#N
InChIInChI=1S/C6H3BrN4/c7-5-3(1-8)4(2-9)6(10)11-5/h11H,10H2
InChIKeyYOKMIDCZQYUXOI-UHFFFAOYSA-N
XLogP1.10
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
The IUPAC name of 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile (CID 610978) is 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile.
What is the SMILES notation for 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
The canonical SMILES for 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile is N#Cc1c(N)[nH]c(Br)c1C#N.
What is the InChIKey of 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
The InChIKey is YOKMIDCZQYUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4/c7-5-3(1-8)4(2-9)6(10)11-5/h11H,10H2.
What are the key properties of 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile has a molecular weight of 211.02 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile is sourced from PubChem (CID 610978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).