9-methyl-[1]benzothiolo[3,2-b]pyridine

C12H9NS — CID 118243263

IUPAC9-methyl-[1]benzothiolo[3,2-b]pyridine
SMILESCc1cccc2sc3cccnc3c12
InChIInChI=1S/C12H9NS/c1-8-4-2-5-9-11(8)12-10(14-9)6-3-7-13-12/h2-7H,1H3
InChIKeyGFRWODVKCQQESN-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.76
Rot. Bonds

About 9-methyl-[1]benzothiolo[3,2-b]pyridine

9-methyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 118243263) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 9-methyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name9-methyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID118243263
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name9-methyl-[1]benzothiolo[3,2-b]pyridine
SMILESCc1cccc2sc3cccnc3c12
InChIInChI=1S/C12H9NS/c1-8-4-2-5-9-11(8)12-10(14-9)6-3-7-13-12/h2-7H,1H3
InChIKeyGFRWODVKCQQESN-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
1-Ethyl-3-methyl-benzo[4,5]thieno[2,3-c]pyridine
CID 12861807
2-(3-Pyridyl)benzothiazole
CID 235922
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781

Frequently Asked Questions

What is the IUPAC name of 9-methyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 9-methyl-[1]benzothiolo[3,2-b]pyridine (CID 118243263) is 9-methyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 9-methyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 9-methyl-[1]benzothiolo[3,2-b]pyridine is Cc1cccc2sc3cccnc3c12.
What is the InChIKey of 9-methyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is GFRWODVKCQQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-8-4-2-5-9-11(8)12-10(14-9)6-3-7-13-12/h2-7H,1H3.
What are the key properties of 9-methyl-[1]benzothiolo[3,2-b]pyridine?
9-methyl-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 199.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 118243263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).