2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid

C11H11F3N2O2S — CID 165489330

IUPAC2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1N1CCSCC1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)7-5-8(10(17)18)9(15-6-7)16-1-3-19-4-2-16/h5-6H,1-4H2,(H,17,18)
InChIKeyRRMILWVNWRIIEJ-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.35
Rot. Bonds2

About 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 165489330) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID165489330
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)cnc1N1CCSCC1
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)7-5-8(10(17)18)9(15-6-7)16-1-3-19-4-2-16/h5-6H,1-4H2,(H,17,18)
InChIKeyRRMILWVNWRIIEJ-UHFFFAOYSA-N
XLogP2.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994305
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
3-thiomorpholin-4-yl-5-(trifluoromethyl)benzoic acid
CID 137353606
5-chloro-6-(1,4-thiazepan-4-yl)pyridine-3-carboxylic acid
CID 61419163
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 153490298
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525911

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 165489330) is 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)(F)F)cnc1N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RRMILWVNWRIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)7-5-8(10(17)18)9(15-6-7)16-1-3-19-4-2-16/h5-6H,1-4H2,(H,17,18).
What are the key properties of 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 292.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-yl-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165489330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).