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

C10H5Br3N2OS — CID 78971768

IUPAC4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H5Br3N2OS/c11-5-4-6(17-9(5)13)10(16)15-8-3-1-2-7(12)14-8/h1-4H,(H,14,15,16)
InChIKeyAJDCYZKFHSLCGC-UHFFFAOYSA-N
MW440.94 g/mol
LogP4.68
Rot. Bonds2

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

4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 78971768) has the molecular formula C10H5Br3N2OS and a molecular weight of 440.94 g/mol. Its IUPAC name is 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
PubChem CID78971768
Molecular FormulaC10H5Br3N2OS
Molecular Weight440.94 g/mol
Exact Mass437.77
IUPAC Name4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H5Br3N2OS/c11-5-4-6(17-9(5)13)10(16)15-8-3-1-2-7(12)14-8/h1-4H,(H,14,15,16)
InChIKeyAJDCYZKFHSLCGC-UHFFFAOYSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 54.68
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

N-(6-bromo-2-pyridinyl)thiadiazole-5-carboxamide
CID 47785684
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
4,5-dibromo-N-isoquinolin-5-ylthiophene-2-carboxamide
CID 29371541
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 78931923
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393424

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide (CID 78971768) is 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide is O=C(Nc1cccc(Br)n1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is AJDCYZKFHSLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br3N2OS/c11-5-4-6(17-9(5)13)10(16)15-8-3-1-2-7(12)14-8/h1-4H,(H,14,15,16).
What are the key properties of 4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide?
4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 4.68, 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-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 78971768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).