4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide

C11H5Br2N3OS — CID 78931923

IUPAC4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)nc1
InChIInChI=1S/C11H5Br2N3OS/c12-7-3-8(18-10(7)13)11(17)16-9-2-1-6(4-14)5-15-9/h1-3,5H,(H,15,16,17)
InChIKeyAOXUHFNLDFWFDU-UHFFFAOYSA-N
MW387.06 g/mol
LogP3.79
Rot. Bonds2

About 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide

4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 78931923) has the molecular formula C11H5Br2N3OS and a molecular weight of 387.06 g/mol. Its IUPAC name is 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
PubChem CID78931923
Molecular FormulaC11H5Br2N3OS
Molecular Weight387.06 g/mol
Exact Mass384.85
IUPAC Name4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)nc1
InChIInChI=1S/C11H5Br2N3OS/c12-7-3-8(18-10(7)13)11(17)16-9-2-1-6(4-14)5-15-9/h1-3,5H,(H,15,16,17)
InChIKeyAOXUHFNLDFWFDU-UHFFFAOYSA-N
XLogP3.79
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 62353535
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103811052
N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
CID 80537120
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
CID 78971768
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738
N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide (CID 78931923) is 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)nc1.
What is the InChIKey of 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is AOXUHFNLDFWFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2N3OS/c12-7-3-8(18-10(7)13)11(17)16-9-2-1-6(4-14)5-15-9/h1-3,5H,(H,15,16,17).
What are the key properties of 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 387.06 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 78931923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).