4-chloro-6-methylthieno[3,2-c]pyridine

C8H6ClNS — CID 18691213

IUPAC4-chloro-6-methylthieno[3,2-c]pyridine
SMILESCc1cc2sccc2c(Cl)n1
InChIInChI=1S/C8H6ClNS/c1-5-4-7-6(2-3-11-7)8(9)10-5/h2-4H,1H3
InChIKeyZFYRXBJJOCLJRA-UHFFFAOYSA-N
MW183.66 g/mol
LogP3.26
Rot. Bonds

About 4-chloro-6-methylthieno[3,2-c]pyridine

4-chloro-6-methylthieno[3,2-c]pyridine (PubChem CID 18691213) has the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. Its IUPAC name is 4-chloro-6-methylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-6-methylthieno[3,2-c]pyridine
PubChem CID18691213
Molecular FormulaC8H6ClNS
Molecular Weight183.66 g/mol
Exact Mass182.99
IUPAC Name4-chloro-6-methylthieno[3,2-c]pyridine
SMILESCc1cc2sccc2c(Cl)n1
InChIInChI=1S/C8H6ClNS/c1-5-4-7-6(2-3-11-7)8(9)10-5/h2-4H,1H3
InChIKeyZFYRXBJJOCLJRA-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 53.26
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 4-chloro-6-methylthieno[3,2-c]pyridine?
The IUPAC name of 4-chloro-6-methylthieno[3,2-c]pyridine (CID 18691213) is 4-chloro-6-methylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-6-methylthieno[3,2-c]pyridine?
The canonical SMILES for 4-chloro-6-methylthieno[3,2-c]pyridine is Cc1cc2sccc2c(Cl)n1.
What is the InChIKey of 4-chloro-6-methylthieno[3,2-c]pyridine?
The InChIKey is ZFYRXBJJOCLJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS/c1-5-4-7-6(2-3-11-7)8(9)10-5/h2-4H,1H3.
What are the key properties of 4-chloro-6-methylthieno[3,2-c]pyridine?
4-chloro-6-methylthieno[3,2-c]pyridine has a molecular weight of 183.66 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylthieno[3,2-c]pyridine is sourced from PubChem (CID 18691213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).