2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

C15H16N2O4S — CID 12677807

IUPAC2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESNCCO.O=C(O)c1cc(=O)c2c([nH]1)-c1ccccc1SC2
InChIInChI=1S/C13H9NO3S.C2H7NO/c15-10-5-9(13(16)17)14-12-7-3-1-2-4-11(7)18-6-8(10)12;3-1-2-4/h1-5H,6H2,(H,14,15)(H,16,17);4H,1-3H2
InChIKeyLFQAABJSKWFNPJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.28
Rot. Bonds2

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

2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (PubChem CID 12677807) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
PubChem CID12677807
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESNCCO.O=C(O)c1cc(=O)c2c([nH]1)-c1ccccc1SC2
InChIInChI=1S/C13H9NO3S.C2H7NO/c15-10-5-9(13(16)17)14-12-7-3-1-2-4-11(7)18-6-8(10)12;3-1-2-4/h1-5H,6H2,(H,14,15)(H,16,17);4H,1-3H2
InChIKeyLFQAABJSKWFNPJ-UHFFFAOYSA-N
XLogP1.28
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (CID 12677807) is 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is NCCO.O=C(O)c1cc(=O)c2c([nH]1)-c1ccccc1SC2.
What is the InChIKey of 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The InChIKey is LFQAABJSKWFNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S.C2H7NO/c15-10-5-9(13(16)17)14-12-7-3-1-2-4-11(7)18-6-8(10)12;3-1-2-4/h1-5H,6H2,(H,14,15)(H,16,17);4H,1-3H2.
What are the key properties of 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 12677807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).