5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide

C11H6BrN3OS — CID 62353535

IUPAC5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Br)s2)nc1
InChIInChI=1S/C11H6BrN3OS/c12-9-3-2-8(17-9)11(16)15-10-4-1-7(5-13)6-14-10/h1-4,6H,(H,14,15,16)
InChIKeyIFXMNCJSKPSOAB-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.03
Rot. Bonds2

About 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide

5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 62353535) has the molecular formula C11H6BrN3OS and a molecular weight of 308.16 g/mol. Its IUPAC name is 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
PubChem CID62353535
Molecular FormulaC11H6BrN3OS
Molecular Weight308.16 g/mol
Exact Mass306.94
IUPAC Name5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Br)s2)nc1
InChIInChI=1S/C11H6BrN3OS/c12-9-3-2-8(17-9)11(16)15-10-4-1-7(5-13)6-14-10/h1-4,6H,(H,14,15,16)
InChIKeyIFXMNCJSKPSOAB-UHFFFAOYSA-N
XLogP3.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide
CID 78931923
5-bromo-N-(5-iodo-2-pyridinyl)thiophene-2-carboxamide
CID 65098648
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 60705604
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide (CID 62353535) is 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Br)s2)nc1.
What is the InChIKey of 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is IFXMNCJSKPSOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3OS/c12-9-3-2-8(17-9)11(16)15-10-4-1-7(5-13)6-14-10/h1-4,6H,(H,14,15,16).
What are the key properties of 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide?
5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 308.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-cyano-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 62353535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).