6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide

C12H15BrN2OS — CID 103889979

IUPAC6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
SMILESCSC1CCCC1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2OS/c1-17-10-6-2-4-8(10)15-12(16)9-5-3-7-11(13)14-9/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16)
InChIKeyZMCBJYSCMCVZFO-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.86
Rot. Bonds3

About 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide

6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide (PubChem CID 103889979) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
PubChem CID103889979
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
SMILESCSC1CCCC1NC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2OS/c1-17-10-6-2-4-8(10)15-12(16)9-5-3-7-11(13)14-9/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16)
InChIKeyZMCBJYSCMCVZFO-UHFFFAOYSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide (CID 103889979) is 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide is CSC1CCCC1NC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is ZMCBJYSCMCVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-17-10-6-2-4-8(10)15-12(16)9-5-3-7-11(13)14-9/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide?
6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).