6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C9H11ClN2OS — CID 129206056

IUPAC6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1ccc(Cl)nc1C(=O)NC
InChIInChI=1S/C9H11ClN2OS/c1-3-14-6-4-5-7(10)12-8(6)9(13)11-2/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyZEKYPJVUAJVMMH-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.21
Rot. Bonds3

About 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 129206056) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID129206056
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1ccc(Cl)nc1C(=O)NC
InChIInChI=1S/C9H11ClN2OS/c1-3-14-6-4-5-7(10)12-8(6)9(13)11-2/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyZEKYPJVUAJVMMH-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.21
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-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 129206056) is 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1ccc(Cl)nc1C(=O)NC.
What is the InChIKey of 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is ZEKYPJVUAJVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-3-14-6-4-5-7(10)12-8(6)9(13)11-2/h4-5H,3H2,1-2H3,(H,11,13).
What are the key properties of 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 230.72 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 129206056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).