ethane;8-hydroxy-6H-1,6-naphthyridin-5-one

C12H18N2O2 — CID 91248042

IUPACethane;8-hydroxy-6H-1,6-naphthyridin-5-one
SMILESCC.CC.O=c1[nH]cc(O)c2ncccc12
InChIInChI=1S/C8H6N2O2.2C2H6/c11-6-4-10-8(12)5-2-1-3-9-7(5)6;2*1-2/h1-4,11H,(H,10,12);2*1-2H3
InChIKeyAZFSFTGMLFPMMT-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.68
Rot. Bonds

About ethane;8-hydroxy-6H-1,6-naphthyridin-5-one

ethane;8-hydroxy-6H-1,6-naphthyridin-5-one (PubChem CID 91248042) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethane;8-hydroxy-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Nameethane;8-hydroxy-6H-1,6-naphthyridin-5-one
PubChem CID91248042
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethane;8-hydroxy-6H-1,6-naphthyridin-5-one
SMILESCC.CC.O=c1[nH]cc(O)c2ncccc12
InChIInChI=1S/C8H6N2O2.2C2H6/c11-6-4-10-8(12)5-2-1-3-9-7(5)6;2*1-2/h1-4,11H,(H,10,12);2*1-2H3
InChIKeyAZFSFTGMLFPMMT-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxy-6H-1,6-naphthyridin-5-one
CID 57425179
8-hydroxy-6-methyl-1,6-naphthyridin-5-one
CID 59256580
5-hydroxy-7-methyl-1,7-naphthyridin-8-one
CID 141377823
5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
5-[(Z)-1-amino-2-hydrazinylethenyl]-7H-1,7-naphthyridin-8-one
CID 171099237
5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one
CID 164631526
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
CID 142818668
5-prop-1-en-2-ylquinolin-8-ol
CID 142945395
8-hydroxyquinoline-5-carboxylic acid;hydrobromide
CID 122236270
CID 172791001
CID 172791001
5-bromoquinolin-8-ol;nickel
CID 175092761

Frequently Asked Questions

What is the IUPAC name of ethane;8-hydroxy-6H-1,6-naphthyridin-5-one?
The IUPAC name of ethane;8-hydroxy-6H-1,6-naphthyridin-5-one (CID 91248042) is ethane;8-hydroxy-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for ethane;8-hydroxy-6H-1,6-naphthyridin-5-one?
The canonical SMILES for ethane;8-hydroxy-6H-1,6-naphthyridin-5-one is CC.CC.O=c1[nH]cc(O)c2ncccc12.
What is the InChIKey of ethane;8-hydroxy-6H-1,6-naphthyridin-5-one?
The InChIKey is AZFSFTGMLFPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.2C2H6/c11-6-4-10-8(12)5-2-1-3-9-7(5)6;2*1-2/h1-4,11H,(H,10,12);2*1-2H3.
What are the key properties of ethane;8-hydroxy-6H-1,6-naphthyridin-5-one?
ethane;8-hydroxy-6H-1,6-naphthyridin-5-one has a molecular weight of 222.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-hydroxy-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 91248042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).