4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide

C11H7Br3N2OS — CID 114050470

IUPAC4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c(Br)s2)cnc1Br
InChIInChI=1S/C11H7Br3N2OS/c1-5-2-6(4-15-9(5)13)16-11(17)8-3-7(12)10(14)18-8/h2-4H,1H3,(H,16,17)
InChIKeySLNCSVHWAKIALL-UHFFFAOYSA-N
MW454.97 g/mol
LogP4.99
Rot. Bonds2

About 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide

4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 114050470) has the molecular formula C11H7Br3N2OS and a molecular weight of 454.97 g/mol. Its IUPAC name is 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID114050470
Molecular FormulaC11H7Br3N2OS
Molecular Weight454.97 g/mol
Exact Mass451.78
IUPAC Name4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c(Br)s2)cnc1Br
InChIInChI=1S/C11H7Br3N2OS/c1-5-2-6(4-15-9(5)13)16-11(17)8-3-7(12)10(14)18-8/h2-4H,1H3,(H,16,17)
InChIKeySLNCSVHWAKIALL-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.97
LogP ≤ 54.99
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

4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
5-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylthiophene-2-carboxamide
CID 103745343
N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
CID 80537120
4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
N-(6-bromo-5-methyl-3-pyridinyl)-3,5-difluorobenzamide
CID 113383975
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
4,5-dibromo-N-(1,5-dimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 4773000
4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
CID 112739550
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 114050470) is 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(Br)c(Br)s2)cnc1Br.
What is the InChIKey of 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is SLNCSVHWAKIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br3N2OS/c1-5-2-6(4-15-9(5)13)16-11(17)8-3-7(12)10(14)18-8/h2-4H,1H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide?
4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 454.97 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 114050470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).