5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide

C7H6ClNO2S — CID 56958300

IUPAC5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide
SMILESO=S1(=O)CCc2cc(Cl)cnc21
InChIInChI=1S/C7H6ClNO2S/c8-6-3-5-1-2-12(10,11)7(5)9-4-6/h3-4H,1-2H2
InChIKeyOMYUBLWOIMDPPY-UHFFFAOYSA-N
MW203.65 g/mol
LogP1.06
Rot. Bonds

About 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide

5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide (PubChem CID 56958300) has the molecular formula C7H6ClNO2S and a molecular weight of 203.65 g/mol. Its IUPAC name is 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide
PubChem CID56958300
Molecular FormulaC7H6ClNO2S
Molecular Weight203.65 g/mol
Exact Mass202.98
IUPAC Name5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide
SMILESO=S1(=O)CCc2cc(Cl)cnc21
InChIInChI=1S/C7H6ClNO2S/c8-6-3-5-1-2-12(10,11)7(5)9-4-6/h3-4H,1-2H2
InChIKeyOMYUBLWOIMDPPY-UHFFFAOYSA-N
XLogP1.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
CID 105357322
7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 105356998
5-methyl-2,3-dihydrothieno[2,3-c]pyridine 1,1-dioxide
CID 176947713
(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 110221397
5-chloro-3H-pyrrolo[2,3-b]pyridine
CID 124527053
6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one;ethane
CID 142278146
(7S)-3-chloro-7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118282262
4-(5-chloro-2-fluoro-3-pyridinyl)-2,2-dimethyl-1,1-dioxothian-4-ol
CID 166564435
3-chloro-7,8-dihydro-6H-quinolin-5-one
CID 10997654
1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide
CID 163968178
(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 153306219
1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
CID 138561291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide?
The IUPAC name of 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide (CID 56958300) is 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide.
What is the SMILES notation for 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide?
The canonical SMILES for 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide is O=S1(=O)CCc2cc(Cl)cnc21.
What is the InChIKey of 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide?
The InChIKey is OMYUBLWOIMDPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2S/c8-6-3-5-1-2-12(10,11)7(5)9-4-6/h3-4H,1-2H2.
What are the key properties of 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide?
5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide has a molecular weight of 203.65 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydrothieno[2,3-b]pyridine 1,1-dioxide is sourced from PubChem (CID 56958300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).