6-methylsulfanylpyridazine-4-carboxylic acid

C6H6N2O2S — CID 117102513

IUPAC6-methylsulfanylpyridazine-4-carboxylic acid
SMILESCSc1cc(C(=O)O)cnn1
InChIInChI=1S/C6H6N2O2S/c1-11-5-2-4(6(9)10)3-7-8-5/h2-3H,1H3,(H,9,10)
InChIKeyNXRNQKIDNYBJHL-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.90
Rot. Bonds2

About 6-methylsulfanylpyridazine-4-carboxylic acid

6-methylsulfanylpyridazine-4-carboxylic acid (PubChem CID 117102513) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 6-methylsulfanylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-methylsulfanylpyridazine-4-carboxylic acid
PubChem CID117102513
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name6-methylsulfanylpyridazine-4-carboxylic acid
SMILESCSc1cc(C(=O)O)cnn1
InChIInChI=1S/C6H6N2O2S/c1-11-5-2-4(6(9)10)3-7-8-5/h2-3H,1H3,(H,9,10)
InChIKeyNXRNQKIDNYBJHL-UHFFFAOYSA-N
XLogP0.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-methylsulfanylpyridine-4-carboxylic acid
CID 84690011
6-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 84664601
2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 106972467
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
3,5-bis(methylsulfanyl)benzoic acid
CID 21445961
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-bromo-2-methylsulfanylpyridine-4-carboxylic acid
CID 130572390
5-(methylsulfanylmethyl)pyridine-3-carboxylic acid
CID 117212726
5-chloro-2-fluoro-3-(6-methylsulfanylpyridazin-4-yl)-4-(trifluoromethyl)benzamide
CID 177255063
6-(dibenzylamino)pyridazine-4-carboxylic acid
CID 131034527
ethane;6-methylsulfanyl-5-nitropyridine-3-carboxylic acid
CID 145294948

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylpyridazine-4-carboxylic acid?
The IUPAC name of 6-methylsulfanylpyridazine-4-carboxylic acid (CID 117102513) is 6-methylsulfanylpyridazine-4-carboxylic acid.
What is the SMILES notation for 6-methylsulfanylpyridazine-4-carboxylic acid?
The canonical SMILES for 6-methylsulfanylpyridazine-4-carboxylic acid is CSc1cc(C(=O)O)cnn1.
What is the InChIKey of 6-methylsulfanylpyridazine-4-carboxylic acid?
The InChIKey is NXRNQKIDNYBJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c1-11-5-2-4(6(9)10)3-7-8-5/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methylsulfanylpyridazine-4-carboxylic acid?
6-methylsulfanylpyridazine-4-carboxylic acid has a molecular weight of 170.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylpyridazine-4-carboxylic acid is sourced from PubChem (CID 117102513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).