4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide

C12H9Cl2FN2O2S — CID 146323579

IUPAC4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1c(F)c(NC(=O)c2cc(Cl)c(Cl)s2)ccc1=O
InChIInChI=1S/C12H9Cl2FN2O2S/c1-2-17-9(18)4-3-7(11(17)15)16-12(19)8-5-6(13)10(14)20-8/h3-5H,2H2,1H3,(H,16,19)
InChIKeyQXFKWJMTNRQKBL-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.63
Rot. Bonds3

About 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide

4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 146323579) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
PubChem CID146323579
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1c(F)c(NC(=O)c2cc(Cl)c(Cl)s2)ccc1=O
InChIInChI=1S/C12H9Cl2FN2O2S/c1-2-17-9(18)4-3-7(11(17)15)16-12(19)8-5-6(13)10(14)20-8/h3-5H,2H2,1H3,(H,16,19)
InChIKeyQXFKWJMTNRQKBL-UHFFFAOYSA-N
XLogP3.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide (CID 146323579) is 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide is CCn1c(F)c(NC(=O)c2cc(Cl)c(Cl)s2)ccc1=O.
What is the InChIKey of 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is QXFKWJMTNRQKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c1-2-17-9(18)4-3-7(11(17)15)16-12(19)8-5-6(13)10(14)20-8/h3-5H,2H2,1H3,(H,16,19).
What are the key properties of 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1-ethyl-2-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).