1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one

C11H10ClNOS — CID 23046142

IUPAC1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one
SMILESCCCC(=O)c1cnc2ccsc2c1Cl
InChIInChI=1S/C11H10ClNOS/c1-2-3-9(14)7-6-13-8-4-5-15-11(8)10(7)12/h4-6H,2-3H2,1H3
InChIKeyNIYKLCDOTPBTEC-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.93
Rot. Bonds3

About 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one

1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one (PubChem CID 23046142) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one.

Molecular Properties

Compound Name1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one
PubChem CID23046142
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one
SMILESCCCC(=O)c1cnc2ccsc2c1Cl
InChIInChI=1S/C11H10ClNOS/c1-2-3-9(14)7-6-13-8-4-5-15-11(8)10(7)12/h4-6H,2-3H2,1H3
InChIKeyNIYKLCDOTPBTEC-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
CID 155564640
Ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate
CID 15565869
1-{Thieno[3,2-b]pyridin-6-yl}ethan-1-one
CID 12885494
2-Chloro-5-(2-thenoyl)pyridine
CID 335095
[1-(2-chlorobenzyl)-1H-indol-3-yl](2-thienyl)methanone
CID 1291961
[1-(4-Chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone
CID 2309503
4-(4-Chlorophenyl)-3-methyl-12-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,10-tetraen-5-one
CID 14809215
1-(1-Thiophen-2-ylindolizin-3-yl)ethanone
CID 127029580
(E)-1-(6-chloro-3-pyridinyl)-3-thiophen-2-ylprop-2-en-1-one
CID 156014379
5-Chlorothieno(3,2-b)pyridine-6-carbaldehyde
CID 12415569
Thieno[3,2-b]pyridine-6-carbaldehyde
CID 14025919
7-Chlorothieno[3,2-b]pyridine-2-carbaldehyde
CID 50988849

Frequently Asked Questions

What is the IUPAC name of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one?
The IUPAC name of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one (CID 23046142) is 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one.
What is the SMILES notation for 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one?
The canonical SMILES for 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one is CCCC(=O)c1cnc2ccsc2c1Cl.
What is the InChIKey of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one?
The InChIKey is NIYKLCDOTPBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-2-3-9(14)7-6-13-8-4-5-15-11(8)10(7)12/h4-6H,2-3H2,1H3.
What are the key properties of 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one?
1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one has a molecular weight of 239.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chlorothieno[3,2-b]pyridin-6-yl)butan-1-one is sourced from PubChem (CID 23046142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).