5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid

C12H16ClN3O2S — CID 114173858

IUPAC5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCCN2CCSCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN3O2S/c13-10-7-9(12(17)18)8-15-11(10)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,15)(H,17,18)
InChIKeyYSGFOQBRWLGBOX-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid

5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid (PubChem CID 114173858) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
PubChem CID114173858
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCCN2CCSCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN3O2S/c13-10-7-9(12(17)18)8-15-11(10)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,15)(H,17,18)
InChIKeyYSGFOQBRWLGBOX-UHFFFAOYSA-N
XLogP1.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327037
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326689
5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid
CID 167932861
4-(2-thiomorpholin-4-ylethylamino)benzoic acid
CID 106325856
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327571
3-bromo-5-(2-thiomorpholin-4-ylethylamino)benzoic acid
CID 106327268
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid (CID 114173858) is 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid is O=C(O)c1cnc(NCCN2CCSCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid?
The InChIKey is YSGFOQBRWLGBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c13-10-7-9(12(17)18)8-15-11(10)14-1-2-16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,15)(H,17,18).
What are the key properties of 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid?
5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid has a molecular weight of 301.80 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114173858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).