9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

C14H11NO3S — CID 12677802

IUPAC9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2
InChIInChI=1S/C14H11NO3S/c1-7-2-3-12-8(4-7)13-9(6-19-12)11(16)5-10(15-13)14(17)18/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyPZZVOMWAZNVLLU-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.65
Rot. Bonds1

About 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (PubChem CID 12677802) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
PubChem CID12677802
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2
InChIInChI=1S/C14H11NO3S/c1-7-2-3-12-8(4-7)13-9(6-19-12)11(16)5-10(15-13)14(17)18/h2-5H,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyPZZVOMWAZNVLLU-UHFFFAOYSA-N
XLogP2.65
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (CID 12677802) is 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is Cc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2.
What is the InChIKey of 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The InChIKey is PZZVOMWAZNVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-7-2-3-12-8(4-7)13-9(6-19-12)11(16)5-10(15-13)14(17)18/h2-5H,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 12677802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).