2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid

C7H7FN2O2S — CID 79357715

IUPAC2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid
SMILESCc1cnc(SC(F)C(=O)O)nc1
InChIInChI=1S/C7H7FN2O2S/c1-4-2-9-7(10-3-4)13-5(8)6(11)12/h2-3,5H,1H3,(H,11,12)
InChIKeyHTXOMNDGUNHWOX-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.26
Rot. Bonds3

About 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid

2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid (PubChem CID 79357715) has the molecular formula C7H7FN2O2S and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid
PubChem CID79357715
Molecular FormulaC7H7FN2O2S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Name2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid
SMILESCc1cnc(SC(F)C(=O)O)nc1
InChIInChI=1S/C7H7FN2O2S/c1-4-2-9-7(10-3-4)13-5(8)6(11)12/h2-3,5H,1H3,(H,11,12)
InChIKeyHTXOMNDGUNHWOX-UHFFFAOYSA-N
XLogP1.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-(Methylthio)pyrimidine-5-carboxylic acid
CID 3631794
2-(Pyrimidin-2-ylsulfanyl)propanoic acid
CID 23535283
3-(Pyrimidin-2-ylsulfanyl)propanoic acid
CID 9484413
4-Fluoro-5-methyl-2-(methylthio)pyrimidine
CID 177800939
4-Fluoro-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 10103937
Ethyl 2-fluoro-2-pyrimidin-2-ylsulfanylacetate
CID 10608744
2-Ethylthio-5-trifluoromethylpyrimidine
CID 13317020
3-(5-Fluoropyrimidin-2-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 142476095
[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium;2-methylsulfanyl-5-(trifluoromethyl)pyrimidine;propanoic acid;hexafluorophosphate
CID 160685951
2-Propan-2-ylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 167040766
2-[(4-Amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid
CID 268121

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid (CID 79357715) is 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid is Cc1cnc(SC(F)C(=O)O)nc1.
What is the InChIKey of 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is HTXOMNDGUNHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S/c1-4-2-9-7(10-3-4)13-5(8)6(11)12/h2-3,5H,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid?
2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 79357715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).