2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid

C17H12N2O5S — CID 67420893

IUPAC2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)sc2cc(-c3cccnc3)ccc2c1=O
InChIInChI=1S/C17H12N2O5S/c20-13(21)8-19-16(23)14-15(22)11-4-3-9(6-12(11)25-17(14)24)10-2-1-5-18-7-10/h1-7,24H,8H2,(H,19,23)(H,20,21)
InChIKeySRMXAQYEEJTXAP-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.84
Rot. Bonds4

About 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid

2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid (PubChem CID 67420893) has the molecular formula C17H12N2O5S and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid
PubChem CID67420893
Molecular FormulaC17H12N2O5S
Molecular Weight356.36 g/mol
Exact Mass356.05
IUPAC Name2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)sc2cc(-c3cccnc3)ccc2c1=O
InChIInChI=1S/C17H12N2O5S/c20-13(21)8-19-16(23)14-15(22)11-4-3-9(6-12(11)25-17(14)24)10-2-1-5-18-7-10/h1-7,24H,8H2,(H,19,23)(H,20,21)
InChIKeySRMXAQYEEJTXAP-UHFFFAOYSA-N
XLogP1.84
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid (CID 67420893) is 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)sc2cc(-c3cccnc3)ccc2c1=O.
What is the InChIKey of 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid?
The InChIKey is SRMXAQYEEJTXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5S/c20-13(21)8-19-16(23)14-15(22)11-4-3-9(6-12(11)25-17(14)24)10-2-1-5-18-7-10/h1-7,24H,8H2,(H,19,23)(H,20,21).
What are the key properties of 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid?
2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid has a molecular weight of 356.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-oxo-7-pyridin-3-ylthiochromene-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 67420893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).