2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid

C11H9N3O2S2 — CID 106972467

IUPAC2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
SMILESCSc1cc(Sc2cc(C(=O)O)ccn2)ncn1
InChIInChI=1S/C11H9N3O2S2/c1-17-8-5-10(14-6-13-8)18-9-4-7(11(15)16)2-3-12-9/h2-6H,1H3,(H,15,16)
InChIKeyNGVZTPYUZYOPCV-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.44
Rot. Bonds4

About 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid

2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 106972467) has the molecular formula C11H9N3O2S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID106972467
Molecular FormulaC11H9N3O2S2
Molecular Weight279.35 g/mol
Exact Mass279.01
IUPAC Name2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
SMILESCSc1cc(Sc2cc(C(=O)O)ccn2)ncn1
InChIInChI=1S/C11H9N3O2S2/c1-17-8-5-10(14-6-13-8)18-9-4-7(11(15)16)2-3-12-9/h2-6H,1H3,(H,15,16)
InChIKeyNGVZTPYUZYOPCV-UHFFFAOYSA-N
XLogP2.44
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
CID 61299738
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779261
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301283
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726439
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpyridine-4-carboxylic acid
CID 60726195
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248
N-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide
CID 126562476
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 64588955
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301448

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid (CID 106972467) is 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid is CSc1cc(Sc2cc(C(=O)O)ccn2)ncn1.
What is the InChIKey of 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is NGVZTPYUZYOPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S2/c1-17-8-5-10(14-6-13-8)18-9-4-7(11(15)16)2-3-12-9/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid?
2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 279.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 106972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).