4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid

C13H9Cl2NO2S — CID 81239656

IUPAC4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2cc(Cl)ccc2Cl)c(C(=O)O)cn1
InChIInChI=1S/C13H9Cl2NO2S/c1-7-4-11(9(6-16-7)13(17)18)19-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,17,18)
InChIKeyIEVRXLVMJQKSKL-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.55
Rot. Bonds3

About 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid

4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid (PubChem CID 81239656) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
PubChem CID81239656
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Sc2cc(Cl)ccc2Cl)c(C(=O)O)cn1
InChIInChI=1S/C13H9Cl2NO2S/c1-7-4-11(9(6-16-7)13(17)18)19-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,17,18)
InChIKeyIEVRXLVMJQKSKL-UHFFFAOYSA-N
XLogP4.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(4-propan-2-ylphenyl)sulfanylpyridine-3-carboxylic acid
CID 81238328
6-methyl-4-pyridin-4-ylsulfanylpyridine-3-carboxylic acid
CID 81237651
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 81238533
6-(2,5-dichlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 29035627
2-(2,5-dichlorophenyl)sulfanylfuran-3-carboxylic acid
CID 21162534
4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanylbenzoic acid
CID 55181565
4-(5-chloro-2-methoxycarbonylphenyl)-6-methylpyridine-3-carboxylic acid
CID 166163521
4-(1,3-benzothiazol-2-ylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 81239156
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid (CID 81239656) is 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid is Cc1cc(Sc2cc(Cl)ccc2Cl)c(C(=O)O)cn1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid?
The InChIKey is IEVRXLVMJQKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c1-7-4-11(9(6-16-7)13(17)18)19-12-5-8(14)2-3-10(12)15/h2-6H,1H3,(H,17,18).
What are the key properties of 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid?
4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid has a molecular weight of 314.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81239656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).