2H-1,5-naphthyridin-3-one;dihydrochloride

C8H8Cl2N2O — CID 145497482

IUPAC2H-1,5-naphthyridin-3-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2ncccc2=NC1
InChIInChI=1S/C8H6N2O.2ClH/c11-6-4-8-7(10-5-6)2-1-3-9-8;;/h1-4H,5H2;2*1H
InChIKeyGFTAXJANFWCRET-UHFFFAOYSA-N
MW219.07 g/mol
LogP-0.09
Rot. Bonds

About 2H-1,5-naphthyridin-3-one;dihydrochloride

2H-1,5-naphthyridin-3-one;dihydrochloride (PubChem CID 145497482) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 2H-1,5-naphthyridin-3-one;dihydrochloride.

Molecular Properties

Compound Name2H-1,5-naphthyridin-3-one;dihydrochloride
PubChem CID145497482
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name2H-1,5-naphthyridin-3-one;dihydrochloride
SMILESCl.Cl.O=C1C=c2ncccc2=NC1
InChIInChI=1S/C8H6N2O.2ClH/c11-6-4-8-7(10-5-6)2-1-3-9-8;;/h1-4H,5H2;2*1H
InChIKeyGFTAXJANFWCRET-UHFFFAOYSA-N
XLogP-0.09
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,5-naphthyridin-3-one;dihydrochloride?
The IUPAC name of 2H-1,5-naphthyridin-3-one;dihydrochloride (CID 145497482) is 2H-1,5-naphthyridin-3-one;dihydrochloride.
What is the SMILES notation for 2H-1,5-naphthyridin-3-one;dihydrochloride?
The canonical SMILES for 2H-1,5-naphthyridin-3-one;dihydrochloride is Cl.Cl.O=C1C=c2ncccc2=NC1.
What is the InChIKey of 2H-1,5-naphthyridin-3-one;dihydrochloride?
The InChIKey is GFTAXJANFWCRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.2ClH/c11-6-4-8-7(10-5-6)2-1-3-9-8;;/h1-4H,5H2;2*1H.
What are the key properties of 2H-1,5-naphthyridin-3-one;dihydrochloride?
2H-1,5-naphthyridin-3-one;dihydrochloride has a molecular weight of 219.07 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,5-naphthyridin-3-one;dihydrochloride is sourced from PubChem (CID 145497482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).