5,7-dichlorothieno[3,2-b]pyridine

C7H3Cl2NS — CID 12628602

IUPAC5,7-dichlorothieno[3,2-b]pyridine
SMILESClc1cc(Cl)c2sccc2n1
InChIInChI=1S/C7H3Cl2NS/c8-4-3-6(9)10-5-1-2-11-7(4)5/h1-3H
InChIKeyGACWBJMFVQODCY-UHFFFAOYSA-N
MW204.08 g/mol
LogP3.60
Rot. Bonds

About 5,7-dichlorothieno[3,2-b]pyridine

5,7-dichlorothieno[3,2-b]pyridine (PubChem CID 12628602) has the molecular formula C7H3Cl2NS and a molecular weight of 204.08 g/mol. Its IUPAC name is 5,7-dichlorothieno[3,2-b]pyridine.

Molecular Properties

Compound Name5,7-dichlorothieno[3,2-b]pyridine
PubChem CID12628602
Molecular FormulaC7H3Cl2NS
Molecular Weight204.08 g/mol
Exact Mass202.94
IUPAC Name5,7-dichlorothieno[3,2-b]pyridine
SMILESClc1cc(Cl)c2sccc2n1
InChIInChI=1S/C7H3Cl2NS/c8-4-3-6(9)10-5-1-2-11-7(4)5/h1-3H
InChIKeyGACWBJMFVQODCY-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 53.60
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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Related Compounds

7-Chloro-2-iodothieno(3,2-b)pyridine
CID 17750400
5-Chlorothieno[3,2-b]pyridine
CID 12415568
7-Chlorothieno[3,2-b]pyridine
CID 11275251
2-Bromo-7-chlorothieno[3,2-b]pyridine
CID 18382774
4-Chloro-6-methylthieno(3,2-c)pyridine
CID 18691213
5-Chlorothieno[3,2-b]pyridine-2-sulfonyl chloride
CID 22017299
5-(Trifluoromethyl)thieno(3,2-b)pyridine
CID 22281768
7-Chloro-5-methylthieno[3,2-b]pyridine
CID 56587804
6-Bromo-7-chlorothieno(3,2-b)pyridine
CID 59424655
3-Bromo-5-chlorothieno(3,2-b)pyridine
CID 71464339
5-Bromothieno[3,2-b]pyridine
CID 82394087
7-Chloro-6-iodothieno[3,2-b]pyridine
CID 86717472

Frequently Asked Questions

What is the IUPAC name of 5,7-dichlorothieno[3,2-b]pyridine?
The IUPAC name of 5,7-dichlorothieno[3,2-b]pyridine (CID 12628602) is 5,7-dichlorothieno[3,2-b]pyridine.
What is the SMILES notation for 5,7-dichlorothieno[3,2-b]pyridine?
The canonical SMILES for 5,7-dichlorothieno[3,2-b]pyridine is Clc1cc(Cl)c2sccc2n1.
What is the InChIKey of 5,7-dichlorothieno[3,2-b]pyridine?
The InChIKey is GACWBJMFVQODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NS/c8-4-3-6(9)10-5-1-2-11-7(4)5/h1-3H.
What are the key properties of 5,7-dichlorothieno[3,2-b]pyridine?
5,7-dichlorothieno[3,2-b]pyridine has a molecular weight of 204.08 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichlorothieno[3,2-b]pyridine is sourced from PubChem (CID 12628602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).