5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate

C10H12N2O3 — CID 70072036

IUPAC5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate
SMILESCCc1c2ccc(=O)nc-2ccn1O.O
InChIInChI=1S/C10H10N2O2.H2O/c1-2-9-7-3-4-10(13)11-8(7)5-6-12(9)14;/h3-6,14H,2H2,1H3;1H2
InChIKeyHFGPQJRRJXRHTM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.32
Rot. Bonds1

About 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate

5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate (PubChem CID 70072036) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate
PubChem CID70072036
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate
SMILESCCc1c2ccc(=O)nc-2ccn1O.O
InChIInChI=1S/C10H10N2O2.H2O/c1-2-9-7-3-4-10(13)11-8(7)5-6-12(9)14;/h3-6,14H,2H2,1H3;1H2
InChIKeyHFGPQJRRJXRHTM-UHFFFAOYSA-N
XLogP0.32
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate?
The IUPAC name of 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate (CID 70072036) is 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate.
What is the SMILES notation for 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate?
The canonical SMILES for 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate is CCc1c2ccc(=O)nc-2ccn1O.O.
What is the InChIKey of 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate?
The InChIKey is HFGPQJRRJXRHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.H2O/c1-2-9-7-3-4-10(13)11-8(7)5-6-12(9)14;/h3-6,14H,2H2,1H3;1H2.
What are the key properties of 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate?
5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate has a molecular weight of 208.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate is sourced from PubChem (CID 70072036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).