2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide

C10H6Cl2N2OS — CID 2805357

IUPAC2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyXUXVQIKOGRNZPD-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.70
Rot. Bonds2

About 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide

2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide (PubChem CID 2805357) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide
PubChem CID2805357
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyXUXVQIKOGRNZPD-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide (CID 2805357) is 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide is O=C(Nc1cccnc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide?
The InChIKey is XUXVQIKOGRNZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15).
What are the key properties of 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide?
2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide has a molecular weight of 273.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-pyridin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 2805357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).