6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride

C8H8ClNOS — CID 79887429

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride
SMILESO=C(Cl)N1CCc2sccc2C1
InChIInChI=1S/C8H8ClNOS/c9-8(11)10-3-1-7-6(5-10)2-4-12-7/h2,4H,1,3,5H2
InChIKeyUTDHMKWKFDMNKH-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.46
Rot. Bonds

About 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride

6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride (PubChem CID 79887429) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride
PubChem CID79887429
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride
SMILESO=C(Cl)N1CCc2sccc2C1
InChIInChI=1S/C8H8ClNOS/c9-8(11)10-3-1-7-6(5-10)2-4-12-7/h2,4H,1,3,5H2
InChIKeyUTDHMKWKFDMNKH-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
CID 10176342
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(2-phenylethyl)-, monohydrochloride
CID 3041288
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-fluorophenyl)methyl)-, monohydrochloride
CID 3041335
7-Isopropyl-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548171
6-Allyl-7-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548173
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
5-Benzyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine Hydrochloride
CID 13341659
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 24709583
6-Ethyl-7-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548172
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride (CID 79887429) is 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride is O=C(Cl)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride?
The InChIKey is UTDHMKWKFDMNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-8(11)10-3-1-7-6(5-10)2-4-12-7/h2,4H,1,3,5H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride?
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride has a molecular weight of 201.68 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl chloride is sourced from PubChem (CID 79887429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).