6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid

C11H9N3O2S — CID 62701272

IUPAC6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Sc2ncccn2)n1
InChIInChI=1S/C11H9N3O2S/c1-7-3-4-8(10(15)16)9(14-7)17-11-12-5-2-6-13-11/h2-6H,1H3,(H,15,16)
InChIKeyFUTKNJCASRTNIB-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.03
Rot. Bonds3

About 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid

6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid (PubChem CID 62701272) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
PubChem CID62701272
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Sc2ncccn2)n1
InChIInChI=1S/C11H9N3O2S/c1-7-3-4-8(10(15)16)9(14-7)17-11-12-5-2-6-13-11/h2-6H,1H3,(H,15,16)
InChIKeyFUTKNJCASRTNIB-UHFFFAOYSA-N
XLogP2.03
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62702619
N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
CID 76916444
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
6-chloro-2-(5-methylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 63379996
2-tert-butylsulfanyl-6-methylpyridine-3-carboxylic acid
CID 62701421
2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
6-methyl-2-(4-methylsulfonylphenyl)sulfanylpyridine-3-carboxylic acid
CID 63238601
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
CID 107063696
6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid
CID 62848956
6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carboxylic acid
CID 62701108
2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylbenzoic acid
CID 81293892

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid (CID 62701272) is 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Sc2ncccn2)n1.
What is the InChIKey of 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid?
The InChIKey is FUTKNJCASRTNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-7-3-4-8(10(15)16)9(14-7)17-11-12-5-2-6-13-11/h2-6H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid?
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 62701272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).