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

C6H7BrN2O — CID 45104480

IUPAC5-bromo-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(Br)[nH]1
InChIInChI=1S/C6H7BrN2O/c1-8-6(10)4-2-3-5(7)9-4/h2-3,9H,1H3,(H,8,10)
InChIKeyDTBOMPUCZKUMIV-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.14
Rot. Bonds1

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

5-bromo-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 45104480) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID45104480
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(Br)[nH]1
InChIInChI=1S/C6H7BrN2O/c1-8-6(10)4-2-3-5(7)9-4/h2-3,9H,1H3,(H,8,10)
InChIKeyDTBOMPUCZKUMIV-UHFFFAOYSA-N
XLogP1.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 170735675
(5-bromo-1H-pyrrol-2-yl)-(1H-pyrrol-3-yl)methanone
CID 96590395
N-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 123755530
N-methylbenzamide
CID 11954
4-hydroxy-N-methyl-1H-indole-2-carboxamide
CID 130007884
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600
4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
CID 130962748
2,4-dibromo-N-methylbenzamide
CID 54214948

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-1H-pyrrole-2-carboxamide (CID 45104480) is 5-bromo-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1ccc(Br)[nH]1.
What is the InChIKey of 5-bromo-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is DTBOMPUCZKUMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-8-6(10)4-2-3-5(7)9-4/h2-3,9H,1H3,(H,8,10).
What are the key properties of 5-bromo-N-methyl-1H-pyrrole-2-carboxamide?
5-bromo-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 203.04 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 45104480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).