6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid

C9H9NO3 — CID 84718083

IUPAC6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2c1CCOC2
InChIInChI=1S/C9H9NO3/c11-9(12)7-1-3-10-8-5-13-4-2-6(7)8/h1,3H,2,4-5H2,(H,11,12)
InChIKeyWIDOOQPCTQRKQY-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.85
Rot. Bonds1

About 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid

6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (PubChem CID 84718083) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
PubChem CID84718083
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2c1CCOC2
InChIInChI=1S/C9H9NO3/c11-9(12)7-1-3-10-8-5-13-4-2-6(7)8/h1,3H,2,4-5H2,(H,11,12)
InChIKeyWIDOOQPCTQRKQY-UHFFFAOYSA-N
XLogP0.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (CID 84718083) is 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1ccnc2c1CCOC2.
What is the InChIKey of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is WIDOOQPCTQRKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-9(12)7-1-3-10-8-5-13-4-2-6(7)8/h1,3H,2,4-5H2,(H,11,12).
What are the key properties of 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 84718083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).