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

C10H10ClNO2S — CID 82341872

IUPAC6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
SMILESCC(=O)N1CCc2c(C(=O)Cl)csc2C1
InChIInChI=1S/C10H10ClNO2S/c1-6(13)12-3-2-7-8(10(11)14)5-15-9(7)4-12/h5H,2-4H2,1H3
InChIKeyRQMHWDZQUMTTPZ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.03
Rot. Bonds1

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

6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride (PubChem CID 82341872) has the molecular formula C10H10ClNO2S and a molecular weight of 243.71 g/mol. Its IUPAC name is 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
PubChem CID82341872
Molecular FormulaC10H10ClNO2S
Molecular Weight243.71 g/mol
Exact Mass243.01
IUPAC Name6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
SMILESCC(=O)N1CCc2c(C(=O)Cl)csc2C1
InChIInChI=1S/C10H10ClNO2S/c1-6(13)12-3-2-7-8(10(11)14)5-15-9(7)4-12/h5H,2-4H2,1H3
InChIKeyRQMHWDZQUMTTPZ-UHFFFAOYSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
(Z)-1-(3-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-(2-methylidene-1-pyridinyl)but-2-en-1-one
CID 165143740
1-(3-bromo-4,5,7,8-tetrahydrothieno[3,4-d]azepin-6-yl)ethanone
CID 82378883
N-[(E)-1-amino-4,4-dimethylpent-2-enylidene]-6-[(E)-2-methylbut-2-enoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143125
6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl chloride
CID 82341869
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
CID 177140878
1-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 115023573
methyl 6-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 106821212
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 172908159
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
1-[3-(dimethylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]ethanone
CID 14622389

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride?
The IUPAC name of 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride (CID 82341872) is 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride is CC(=O)N1CCc2c(C(=O)Cl)csc2C1.
What is the InChIKey of 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride?
The InChIKey is RQMHWDZQUMTTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-6(13)12-3-2-7-8(10(11)14)5-15-9(7)4-12/h5H,2-4H2,1H3.
What are the key properties of 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride?
6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride has a molecular weight of 243.71 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride is sourced from PubChem (CID 82341872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).