6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid

C14H19NO2S — CID 63863373

IUPAC6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid
SMILESCCC1CCCCC1Sc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H19NO2S/c1-2-10-5-3-4-6-12(10)18-13-8-7-11(9-15-13)14(16)17/h7-10,12H,2-6H2,1H3,(H,16,17)
InChIKeyYDKZSTPXJWPDRJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.84
Rot. Bonds4

About 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid

6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 63863373) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid
PubChem CID63863373
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid
SMILESCCC1CCCCC1Sc1ccc(C(=O)O)cn1
InChIInChI=1S/C14H19NO2S/c1-2-10-5-3-4-6-12(10)18-13-8-7-11(9-15-13)14(16)17/h7-10,12H,2-6H2,1H3,(H,16,17)
InChIKeyYDKZSTPXJWPDRJ-UHFFFAOYSA-N
XLogP3.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
2-(2-ethylcyclohexyl)sulfanylbenzoic acid
CID 63862824
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
6-[(6-propanoyl-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 115938818
6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
CID 61304765
6-[(1-methylsulfonylpiperidin-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 79612844
6-cyclopentylpyridine-3-carboxylic acid
CID 82403519
6-(5-bromopyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 55251280
4-[3-(2-ethylcyclohexyl)propoxy]benzoic acid
CID 57244924
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
6-(2-ethylsulfonylethylsulfanyl)pyridine-3-carboxylic acid
CID 61304813
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid (CID 63863373) is 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid is CCC1CCCCC1Sc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is YDKZSTPXJWPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-10-5-3-4-6-12(10)18-13-8-7-11(9-15-13)14(16)17/h7-10,12H,2-6H2,1H3,(H,16,17).
What are the key properties of 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid?
6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 265.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylcyclohexyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 63863373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).