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

C11H7BrCl2N2OS — CID 103738307

IUPAC3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1sccc1Br
InChIInChI=1S/C11H7BrCl2N2OS/c1-5-4-7(13)15-10(14)8(5)16-11(17)9-6(12)2-3-18-9/h2-4H,1H3,(H,16,17)
InChIKeyUXQXDZFKXLPFFD-UHFFFAOYSA-N
MW366.07 g/mol
LogP4.77
Rot. Bonds2

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

3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 103738307) has the molecular formula C11H7BrCl2N2OS and a molecular weight of 366.07 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID103738307
Molecular FormulaC11H7BrCl2N2OS
Molecular Weight366.07 g/mol
Exact Mass363.88
IUPAC Name3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1sccc1Br
InChIInChI=1S/C11H7BrCl2N2OS/c1-5-4-7(13)15-10(14)8(5)16-11(17)9-6(12)2-3-18-9/h2-4H,1H3,(H,16,17)
InChIKeyUXQXDZFKXLPFFD-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 54.77
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 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 103738307) is 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is UXQXDZFKXLPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2OS/c1-5-4-7(13)15-10(14)8(5)16-11(17)9-6(12)2-3-18-9/h2-4H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide?
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 366.07 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 103738307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).