3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide

C12H11N3O2S — CID 68896742

IUPAC3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCc1cccnc1N1c2ccccc2NS1(=O)=O
InChIInChI=1S/C12H11N3O2S/c1-9-5-4-8-13-12(9)15-11-7-3-2-6-10(11)14-18(15,16)17/h2-8,14H,1H3
InChIKeyIPXBFROJAHXXQT-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.20
Rot. Bonds1

About 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide

3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 68896742) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID68896742
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESCc1cccnc1N1c2ccccc2NS1(=O)=O
InChIInChI=1S/C12H11N3O2S/c1-9-5-4-8-13-12(9)15-11-7-3-2-6-10(11)14-18(15,16)17/h2-8,14H,1H3
InChIKeyIPXBFROJAHXXQT-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide with MolForge

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Related Compounds

N-methyl-3-[3-(3-methyl-2-pyridinyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]propan-1-amine
CID 24936873
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444
(2S)-2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 118083763
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
CID 58036629
CID 58036629
1-(3-methyl-2-pyridinyl)-2,3-dihydroindole
CID 143449251
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1-(3-methyl-2-pyridinyl)piperazin-2-one
CID 50987689
1-(2-bromoethyl)-3-(4-fluoro-2-methylphenyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide;3-(4-fluoro-2-methylphenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 158908810
CID 140884144
CID 140884144
2-methyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-3-amine
CID 155394624

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 68896742) is 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is Cc1cccnc1N1c2ccccc2NS1(=O)=O.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is IPXBFROJAHXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-9-5-4-8-13-12(9)15-11-7-3-2-6-10(11)14-18(15,16)17/h2-8,14H,1H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 261.31 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 68896742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).