2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine

C11H10ClNS — CID 59590439

IUPAC2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine
SMILESCc1cc(-c2sccc2C)cnc1Cl
InChIInChI=1S/C11H10ClNS/c1-7-3-4-14-10(7)9-5-8(2)11(12)13-6-9/h3-6H,1-2H3
InChIKeyRGMHLCYLOFTDCE-UHFFFAOYSA-N
MW223.73 g/mol
LogP4.08
Rot. Bonds1

About 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine

2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine (PubChem CID 59590439) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine
PubChem CID59590439
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine
SMILESCc1cc(-c2sccc2C)cnc1Cl
InChIInChI=1S/C11H10ClNS/c1-7-3-4-14-10(7)9-5-8(2)11(12)13-6-9/h3-6H,1-2H3
InChIKeyRGMHLCYLOFTDCE-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine (CID 59590439) is 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine is Cc1cc(-c2sccc2C)cnc1Cl.
What is the InChIKey of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine?
The InChIKey is RGMHLCYLOFTDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-7-3-4-14-10(7)9-5-8(2)11(12)13-6-9/h3-6H,1-2H3.
What are the key properties of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine?
2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine has a molecular weight of 223.73 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 59590439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).