4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide

C10H6Br2N2OS — CID 24982611

IUPAC4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H6Br2N2OS/c11-7-4-8(16-9(7)12)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyXANGERNFRLFQGF-UHFFFAOYSA-N
MW362.05 g/mol
LogP3.92
Rot. Bonds2

About 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide

4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 24982611) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID24982611
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H6Br2N2OS/c11-7-4-8(16-9(7)12)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
InChIKeyXANGERNFRLFQGF-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Pyridinyl)-2-thiophenecarboxamide
CID 676266
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
2-Thiophenecarboxamide, 5-nitro-N-3-pyridinyl-
CID 314146
4-bromo-5-ethyl-N-(pyridin-3-yl)thiophene-2-carboxamide
CID 1247729
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6865079
5-bromo-N-(pyridin-3-yl)thiophene-2-carboxamide
CID 1244354
(4,5-Dibromothiophen-2-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 42606102
N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 668938
N-(pyridin-3-yl)-2-(thiophen-2-yl)acetamide
CID 650269
5-methyl-N-3-pyridinyl-3-thiophenecarboxamide
CID 1246640
5-bromo-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 1247028
5-bromo-N-(pyridin-2-yl)thiophene-2-carboxamide
CID 2225503

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide (CID 24982611) is 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide is O=C(Nc1cccnc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is XANGERNFRLFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS/c11-7-4-8(16-9(7)12)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15).
What are the key properties of 4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide?
4,5-dibromo-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 362.05 g/mol, XLogP of 3.92, 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-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 24982611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).