2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid

C8H7NO4 — CID 69177059

IUPAC2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)OCCO2
InChIInChI=1S/C8H7NO4/c10-8(11)5-1-2-6-7(9-5)13-4-3-12-6/h1-2H,3-4H2,(H,10,11)
InChIKeySQYSSECTRFWJFS-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.55
Rot. Bonds1

About 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid

2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid (PubChem CID 69177059) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid
PubChem CID69177059
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)OCCO2
InChIInChI=1S/C8H7NO4/c10-8(11)5-1-2-6-7(9-5)13-4-3-12-6/h1-2H,3-4H2,(H,10,11)
InChIKeySQYSSECTRFWJFS-UHFFFAOYSA-N
XLogP0.55
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid (CID 69177059) is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid is O=C(O)c1ccc2c(n1)OCCO2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is SQYSSECTRFWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-8(11)5-1-2-6-7(9-5)13-4-3-12-6/h1-2H,3-4H2,(H,10,11).
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid?
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 69177059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).