6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid

C14H11N3O2S — CID 118636793

IUPAC6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2ccc(C)c3nsnc23)cc(C(=O)O)n1
InChIInChI=1S/C14H11N3O2S/c1-7-3-4-10(13-12(7)16-20-17-13)9-5-8(2)15-11(6-9)14(18)19/h3-6H,1-2H3,(H,18,19)
InChIKeyFRLWJMKUYOOIQM-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.07
Rot. Bonds2

About 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid

6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 118636793) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid
PubChem CID118636793
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2ccc(C)c3nsnc23)cc(C(=O)O)n1
InChIInChI=1S/C14H11N3O2S/c1-7-3-4-10(13-12(7)16-20-17-13)9-5-8(2)15-11(6-9)14(18)19/h3-6H,1-2H3,(H,18,19)
InChIKeyFRLWJMKUYOOIQM-UHFFFAOYSA-N
XLogP3.07
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid (CID 118636793) is 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid is Cc1cc(-c2ccc(C)c3nsnc23)cc(C(=O)O)n1.
What is the InChIKey of 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is FRLWJMKUYOOIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-7-3-4-10(13-12(7)16-20-17-13)9-5-8(2)15-11(6-9)14(18)19/h3-6H,1-2H3,(H,18,19).
What are the key properties of 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid?
6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 285.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(7-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118636793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).