6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one

C9H8N2O3 — CID 59256597

IUPAC6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one
SMILESNCc1ccc2oc(=O)cc(O)c2n1
InChIInChI=1S/C9H8N2O3/c10-4-5-1-2-7-9(11-5)6(12)3-8(13)14-7/h1-3,12H,4,10H2
InChIKeyMTKZZZAYTPTXKY-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.35
Rot. Bonds1

About 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one

6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one (PubChem CID 59256597) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one
PubChem CID59256597
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one
SMILESNCc1ccc2oc(=O)cc(O)c2n1
InChIInChI=1S/C9H8N2O3/c10-4-5-1-2-7-9(11-5)6(12)3-8(13)14-7/h1-3,12H,4,10H2
InChIKeyMTKZZZAYTPTXKY-UHFFFAOYSA-N
XLogP0.35
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one (CID 59256597) is 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one is NCc1ccc2oc(=O)cc(O)c2n1.
What is the InChIKey of 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one?
The InChIKey is MTKZZZAYTPTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-4-5-1-2-7-9(11-5)6(12)3-8(13)14-7/h1-3,12H,4,10H2.
What are the key properties of 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one?
6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one has a molecular weight of 192.17 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-hydroxypyrano[3,2-b]pyridin-2-one is sourced from PubChem (CID 59256597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).