4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid

C12H10N2O3S — CID 102087393

IUPAC4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid
SMILESCSc1cc(-c2cccnc2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-18-9-5-8(7-3-2-4-13-6-7)14-11(15)10(9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyVCZUCYMXYGOUKJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.86
Rot. Bonds3

About 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid

4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid (PubChem CID 102087393) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid
PubChem CID102087393
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid
SMILESCSc1cc(-c2cccnc2)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C12H10N2O3S/c1-18-9-5-8(7-3-2-4-13-6-7)14-11(15)10(9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyVCZUCYMXYGOUKJ-UHFFFAOYSA-N
XLogP1.86
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one
CID 123419683
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
CID 82385778
methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid
CID 68709110
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
CID 139881687
2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 59285878
2-methylsulfanyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 53213011
(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
CID 143516631

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid (CID 102087393) is 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid is CSc1cc(-c2cccnc2)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is VCZUCYMXYGOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-18-9-5-8(7-3-2-4-13-6-7)14-11(15)10(9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid?
4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 102087393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).