2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid

C10H6FN3O2S — CID 104606105

IUPAC2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ncc(F)cn1
InChIInChI=1S/C10H6FN3O2S/c11-6-4-13-10(14-5-6)17-8-7(9(15)16)2-1-3-12-8/h1-5H,(H,15,16)
InChIKeyGRGYPBYRZZNZHJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.86
Rot. Bonds3

About 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid

2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (PubChem CID 104606105) has the molecular formula C10H6FN3O2S and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
PubChem CID104606105
Molecular FormulaC10H6FN3O2S
Molecular Weight251.24 g/mol
Exact Mass251.02
IUPAC Name2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ncc(F)cn1
InChIInChI=1S/C10H6FN3O2S/c11-6-4-13-10(14-5-6)17-8-7(9(15)16)2-1-3-12-8/h1-5H,(H,15,16)
InChIKeyGRGYPBYRZZNZHJ-UHFFFAOYSA-N
XLogP1.86
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,7-Dimethyl-4-hydroimidazo[1,2-a]pyrimidin-2-yl)methylthio]pyridine-3-car boxylic acid
CID 3000168
6-(4,4-Difluoropiperidin-1-yl)nicotinic acid
CID 121200770
2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid
CID 8006541
Pyrimidinyl-nicotinic acid
CID 23210098
Methyl 2-pyridin-2-ylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2808194
2-[(4-Fluorophenyl)sulfanyl]nicotinic acid
CID 15942981
2-(2-Fluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 25706288
6-[(2,3,5,6-Tetrafluoro-4-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 22001860
2-[(2,3,5,6-Tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid
CID 22001935
2-(2-Fluoropyridin-4-ylmethylthio)pyridine-3-carboxylic acid
CID 23094028
6-(4-Fluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 28401389
2-(2,4-Difluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 43090912

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid (CID 104606105) is 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is O=C(O)c1cccnc1Sc1ncc(F)cn1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is GRGYPBYRZZNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2S/c11-6-4-13-10(14-5-6)17-8-7(9(15)16)2-1-3-12-8/h1-5H,(H,15,16).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid?
2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 104606105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).