4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide

C13H12Br2ClN3O — CID 102979147

IUPAC4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C13H12Br2ClN3O/c1-7(2)19-6-9(15)4-11(19)13(20)18-10-3-8(14)5-17-12(10)16/h3-7H,1-2H3,(H,18,20)
InChIKeyGTZWMAZVWHDKFX-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.89
Rot. Bonds3

About 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 102979147) has the molecular formula C13H12Br2ClN3O and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID102979147
Molecular FormulaC13H12Br2ClN3O
Molecular Weight421.52 g/mol
Exact Mass418.90
IUPAC Name4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1cc(Br)cnc1Cl
InChIInChI=1S/C13H12Br2ClN3O/c1-7(2)19-6-9(15)4-11(19)13(20)18-10-3-8(14)5-17-12(10)16/h3-7H,1-2H3,(H,18,20)
InChIKeyGTZWMAZVWHDKFX-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
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N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
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4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
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4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
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N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
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4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 102979147) is 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1cc(Br)cnc1Cl.
What is the InChIKey of 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GTZWMAZVWHDKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClN3O/c1-7(2)19-6-9(15)4-11(19)13(20)18-10-3-8(14)5-17-12(10)16/h3-7H,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 102979147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).