4-bromo-1H-pyrrole-2-carboxamide

C5H5BrN2O — CID 15346823

IUPAC4-bromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C5H5BrN2O/c6-3-1-4(5(7)9)8-2-3/h1-2,8H,(H2,7,9)
InChIKeyZDOSNCDGCSOFIE-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.88
Rot. Bonds1

About 4-bromo-1H-pyrrole-2-carboxamide

4-bromo-1H-pyrrole-2-carboxamide (PubChem CID 15346823) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 4-bromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1H-pyrrole-2-carboxamide
PubChem CID15346823
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name4-bromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C5H5BrN2O/c6-3-1-4(5(7)9)8-2-3/h1-2,8H,(H2,7,9)
InChIKeyZDOSNCDGCSOFIE-UHFFFAOYSA-N
XLogP0.88
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Acetylpyrrole
CID 14079
Pyrrole-2-carboxaldehyde
CID 13854
2-Propionylpyrrole
CID 61260
1H-pyrrole-2-carboxamide
CID 573553
4,5-Dibromo-1h-pyrrole-2-carboxamide
CID 14056555
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
(4-Bromo-1H-pyrrol-2-yl)(piperidin-1-yl)methanone
CID 2766365
5-bromo-1H-pyrrole-2-carboxamide
CID 10419997
Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-
CID 137637
1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
CID 2798140

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1H-pyrrole-2-carboxamide (CID 15346823) is 4-bromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1H-pyrrole-2-carboxamide is NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-1H-pyrrole-2-carboxamide?
The InChIKey is ZDOSNCDGCSOFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c6-3-1-4(5(7)9)8-2-3/h1-2,8H,(H2,7,9).
What are the key properties of 4-bromo-1H-pyrrole-2-carboxamide?
4-bromo-1H-pyrrole-2-carboxamide has a molecular weight of 189.01 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 15346823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).