5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide

C13H11BrN2OS — CID 55153069

IUPAC5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C13H11BrN2OS/c1-18-11-4-2-3-10(7-11)16-13(17)12-6-5-9(14)8-15-12/h2-8H,1H3,(H,16,17)
InChIKeyQDBOMPRBUKKJHC-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.82
Rot. Bonds3

About 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide

5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide (PubChem CID 55153069) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
PubChem CID55153069
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC Name5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C13H11BrN2OS/c1-18-11-4-2-3-10(7-11)16-13(17)12-6-5-9(14)8-15-12/h2-8H,1H3,(H,16,17)
InChIKeyQDBOMPRBUKKJHC-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
6-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 103874045
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide
CID 55811010
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 54927218
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N-(3-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136655098
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
3-bromo-5-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 107951382
5-chloro-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 62235361

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide (CID 55153069) is 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide is CSc1cccc(NC(=O)c2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide?
The InChIKey is QDBOMPRBUKKJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-18-11-4-2-3-10(7-11)16-13(17)12-6-5-9(14)8-15-12/h2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide?
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 55153069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).