4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide

C12H11Br2N3O — CID 113349883

IUPAC4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H11Br2N3O/c1-7-9(3-4-11(14)15-7)16-12(18)10-5-8(13)6-17(10)2/h3-6H,1-2H3,(H,16,18)
InChIKeyVFRMNDRPKOYSTB-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.51
Rot. Bonds2

About 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide (PubChem CID 113349883) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
PubChem CID113349883
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H11Br2N3O/c1-7-9(3-4-11(14)15-7)16-12(18)10-5-8(13)6-17(10)2/h3-6H,1-2H3,(H,16,18)
InChIKeyVFRMNDRPKOYSTB-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide (CID 113349883) is 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide is Cc1nc(Br)ccc1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is VFRMNDRPKOYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-7-9(3-4-11(14)15-7)16-12(18)10-5-8(13)6-17(10)2/h3-6H,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 373.05 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 113349883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).