4-chloro-2,7-dimethylthieno[3,2-c]pyridine

C9H8ClNS — CID 130047480

IUPAC4-chloro-2,7-dimethylthieno[3,2-c]pyridine
SMILESCc1cc2c(Cl)ncc(C)c2s1
InChIInChI=1S/C9H8ClNS/c1-5-4-11-9(10)7-3-6(2)12-8(5)7/h3-4H,1-2H3
InChIKeyWCXHHPALPADBJK-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.57
Rot. Bonds

About 4-chloro-2,7-dimethylthieno[3,2-c]pyridine

4-chloro-2,7-dimethylthieno[3,2-c]pyridine (PubChem CID 130047480) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is 4-chloro-2,7-dimethylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2,7-dimethylthieno[3,2-c]pyridine
PubChem CID130047480
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Name4-chloro-2,7-dimethylthieno[3,2-c]pyridine
SMILESCc1cc2c(Cl)ncc(C)c2s1
InChIInChI=1S/C9H8ClNS/c1-5-4-11-9(10)7-3-6(2)12-8(5)7/h3-4H,1-2H3
InChIKeyWCXHHPALPADBJK-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 53.57
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-2,7-dimethylthieno[3,2-c]pyridine?
The IUPAC name of 4-chloro-2,7-dimethylthieno[3,2-c]pyridine (CID 130047480) is 4-chloro-2,7-dimethylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2,7-dimethylthieno[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2,7-dimethylthieno[3,2-c]pyridine is Cc1cc2c(Cl)ncc(C)c2s1.
What is the InChIKey of 4-chloro-2,7-dimethylthieno[3,2-c]pyridine?
The InChIKey is WCXHHPALPADBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNS/c1-5-4-11-9(10)7-3-6(2)12-8(5)7/h3-4H,1-2H3.
What are the key properties of 4-chloro-2,7-dimethylthieno[3,2-c]pyridine?
4-chloro-2,7-dimethylthieno[3,2-c]pyridine has a molecular weight of 197.69 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,7-dimethylthieno[3,2-c]pyridine is sourced from PubChem (CID 130047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).