4,5-dibromo-1H-pyrrole-2-carboxamide

C5H4Br2N2O — CID 14056555

IUPAC4,5-dibromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
InChIKeyVTWHNVAKXBNGFV-UHFFFAOYSA-N
MW267.91 g/mol
LogP1.64
Rot. Bonds1

About 4,5-dibromo-1H-pyrrole-2-carboxamide

4,5-dibromo-1H-pyrrole-2-carboxamide (PubChem CID 14056555) has the molecular formula C5H4Br2N2O and a molecular weight of 267.91 g/mol. Its IUPAC name is 4,5-dibromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-1H-pyrrole-2-carboxamide
PubChem CID14056555
Molecular FormulaC5H4Br2N2O
Molecular Weight267.91 g/mol
Exact Mass265.87
IUPAC Name4,5-dibromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
InChIKeyVTWHNVAKXBNGFV-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 4,5-dibromo-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dibromo-1H-pyrrole-2-carboxamide (CID 14056555) is 4,5-dibromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dibromo-1H-pyrrole-2-carboxamide is NC(=O)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of 4,5-dibromo-1H-pyrrole-2-carboxamide?
The InChIKey is VTWHNVAKXBNGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10).
What are the key properties of 4,5-dibromo-1H-pyrrole-2-carboxamide?
4,5-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 4,5-dibromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 14056555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).