4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide

C8H4BrClN2OS — CID 90389287

IUPAC4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Br)cnc(Cl)c2s1
InChIInChI=1S/C8H4BrClN2OS/c9-4-2-12-7(10)6-3(4)1-5(14-6)8(11)13/h1-2H,(H2,11,13)
InChIKeySUEMNUUAZZKLFF-UHFFFAOYSA-N
MW291.56 g/mol
LogP2.81
Rot. Bonds1

About 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide

4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90389287) has the molecular formula C8H4BrClN2OS and a molecular weight of 291.56 g/mol. Its IUPAC name is 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide
PubChem CID90389287
Molecular FormulaC8H4BrClN2OS
Molecular Weight291.56 g/mol
Exact Mass289.89
IUPAC Name4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Br)cnc(Cl)c2s1
InChIInChI=1S/C8H4BrClN2OS/c9-4-2-12-7(10)6-3(4)1-5(14-6)8(11)13/h1-2H,(H2,11,13)
InChIKeySUEMNUUAZZKLFF-UHFFFAOYSA-N
XLogP2.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 52.81
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-7-chlorothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide (CID 90389287) is 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Br)cnc(Cl)c2s1.
What is the InChIKey of 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SUEMNUUAZZKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2OS/c9-4-2-12-7(10)6-3(4)1-5(14-6)8(11)13/h1-2H,(H2,11,13).
What are the key properties of 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide?
4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 291.56 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90389287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).