3,4-dibromo-1H-pyrrole-2-carboxamide

C5H4Br2N2O — CID 44718317

IUPAC3,4-dibromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]cc(Br)c1Br
InChIInChI=1S/C5H4Br2N2O/c6-2-1-9-4(3(2)7)5(8)10/h1,9H,(H2,8,10)
InChIKeyMURVAPQPUKTYNA-UHFFFAOYSA-N
MW267.91 g/mol
LogP1.64
Rot. Bonds1

About 3,4-dibromo-1H-pyrrole-2-carboxamide

3,4-dibromo-1H-pyrrole-2-carboxamide (PubChem CID 44718317) has the molecular formula C5H4Br2N2O and a molecular weight of 267.91 g/mol. Its IUPAC name is 3,4-dibromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4-dibromo-1H-pyrrole-2-carboxamide
PubChem CID44718317
Molecular FormulaC5H4Br2N2O
Molecular Weight267.91 g/mol
Exact Mass265.87
IUPAC Name3,4-dibromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]cc(Br)c1Br
InChIInChI=1S/C5H4Br2N2O/c6-2-1-9-4(3(2)7)5(8)10/h1,9H,(H2,8,10)
InChIKeyMURVAPQPUKTYNA-UHFFFAOYSA-N
XLogP1.64
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.91
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,4-dibromo-1H-pyrrole-2-carboxamide (CID 44718317) is 3,4-dibromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,4-dibromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,4-dibromo-1H-pyrrole-2-carboxamide is NC(=O)c1[nH]cc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-1H-pyrrole-2-carboxamide?
The InChIKey is MURVAPQPUKTYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2O/c6-2-1-9-4(3(2)7)5(8)10/h1,9H,(H2,8,10).
What are the key properties of 3,4-dibromo-1H-pyrrole-2-carboxamide?
3,4-dibromo-1H-pyrrole-2-carboxamide has a molecular weight of 267.91 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 44718317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).