4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid

C9H9NO4 — CID 167511418

IUPAC4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid
SMILESO=C(O)c1nccc2c1OCCC2O
InChIInChI=1S/C9H9NO4/c11-6-2-4-14-8-5(6)1-3-10-7(8)9(12)13/h1,3,6,11H,2,4H2,(H,12,13)
InChIKeyYRTBVVLBHPRWQK-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.60
Rot. Bonds1

About 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid

4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid (PubChem CID 167511418) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid
PubChem CID167511418
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid
SMILESO=C(O)c1nccc2c1OCCC2O
InChIInChI=1S/C9H9NO4/c11-6-2-4-14-8-5(6)1-3-10-7(8)9(12)13/h1,3,6,11H,2,4H2,(H,12,13)
InChIKeyYRTBVVLBHPRWQK-UHFFFAOYSA-N
XLogP0.60
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid?
The IUPAC name of 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid (CID 167511418) is 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid?
The canonical SMILES for 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid is O=C(O)c1nccc2c1OCCC2O.
What is the InChIKey of 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid?
The InChIKey is YRTBVVLBHPRWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-6-2-4-14-8-5(6)1-3-10-7(8)9(12)13/h1,3,6,11H,2,4H2,(H,12,13).
What are the key properties of 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid?
4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxylic acid is sourced from PubChem (CID 167511418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).