4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one

C13H9N3O2 — CID 58133377

IUPAC4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2ncccc2c(O)c1-c1cccnc1
InChIInChI=1S/C13H9N3O2/c17-11-9-4-2-6-15-12(9)16-13(18)10(11)8-3-1-5-14-7-8/h1-7H,(H2,15,16,17,18)
InChIKeyXHXQDGAGTWFRLY-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.69
Rot. Bonds1

About 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one

4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one (PubChem CID 58133377) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one
PubChem CID58133377
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2ncccc2c(O)c1-c1cccnc1
InChIInChI=1S/C13H9N3O2/c17-11-9-4-2-6-15-12(9)16-13(18)10(11)8-3-1-5-14-7-8/h1-7H,(H2,15,16,17,18)
InChIKeyXHXQDGAGTWFRLY-UHFFFAOYSA-N
XLogP1.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one (CID 58133377) is 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one is O=c1[nH]c2ncccc2c(O)c1-c1cccnc1.
What is the InChIKey of 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is XHXQDGAGTWFRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-11-9-4-2-6-15-12(9)16-13(18)10(11)8-3-1-5-14-7-8/h1-7H,(H2,15,16,17,18).
What are the key properties of 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one?
4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 239.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pyridin-3-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 58133377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).