5-bromo-1H-pyrrole-2-carboxamide

C5H5BrN2O — CID 10419997

IUPAC5-bromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(Br)[nH]1
InChIInChI=1S/C5H5BrN2O/c6-4-2-1-3(8-4)5(7)9/h1-2,8H,(H2,7,9)
InChIKeyIUCIXLJBQZTUQS-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.88
Rot. Bonds1

About 5-bromo-1H-pyrrole-2-carboxamide

5-bromo-1H-pyrrole-2-carboxamide (PubChem CID 10419997) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 5-bromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-1H-pyrrole-2-carboxamide
PubChem CID10419997
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name5-bromo-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(Br)[nH]1
InChIInChI=1S/C5H5BrN2O/c6-4-2-1-3(8-4)5(7)9/h1-2,8H,(H2,7,9)
InChIKeyIUCIXLJBQZTUQS-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-bromo-1H-pyrrole-2-carboxamide (CID 10419997) is 5-bromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-bromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-bromo-1H-pyrrole-2-carboxamide is NC(=O)c1ccc(Br)[nH]1.
What is the InChIKey of 5-bromo-1H-pyrrole-2-carboxamide?
The InChIKey is IUCIXLJBQZTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c6-4-2-1-3(8-4)5(7)9/h1-2,8H,(H2,7,9).
What are the key properties of 5-bromo-1H-pyrrole-2-carboxamide?
5-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 5-bromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10419997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).