2H-1,6-naphthyridin-3-one;hydrochloride

C8H7ClN2O — CID 140768673

IUPAC2H-1,6-naphthyridin-3-one;hydrochloride
SMILESCl.O=C1C=c2cnccc2=NC1
InChIInChI=1S/C8H6N2O.ClH/c11-7-3-6-4-9-2-1-8(6)10-5-7;/h1-4H,5H2;1H
InChIKeyBYOYVFXXYLKUIQ-UHFFFAOYSA-N
MW182.61 g/mol
LogP-0.51
Rot. Bonds

About 2H-1,6-naphthyridin-3-one;hydrochloride

2H-1,6-naphthyridin-3-one;hydrochloride (PubChem CID 140768673) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2H-1,6-naphthyridin-3-one;hydrochloride.

Molecular Properties

Compound Name2H-1,6-naphthyridin-3-one;hydrochloride
PubChem CID140768673
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2H-1,6-naphthyridin-3-one;hydrochloride
SMILESCl.O=C1C=c2cnccc2=NC1
InChIInChI=1S/C8H6N2O.ClH/c11-7-3-6-4-9-2-1-8(6)10-5-7;/h1-4H,5H2;1H
InChIKeyBYOYVFXXYLKUIQ-UHFFFAOYSA-N
XLogP-0.51
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-1,6-naphthyridin-3-one;hydrochloride?
The IUPAC name of 2H-1,6-naphthyridin-3-one;hydrochloride (CID 140768673) is 2H-1,6-naphthyridin-3-one;hydrochloride.
What is the SMILES notation for 2H-1,6-naphthyridin-3-one;hydrochloride?
The canonical SMILES for 2H-1,6-naphthyridin-3-one;hydrochloride is Cl.O=C1C=c2cnccc2=NC1.
What is the InChIKey of 2H-1,6-naphthyridin-3-one;hydrochloride?
The InChIKey is BYOYVFXXYLKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.ClH/c11-7-3-6-4-9-2-1-8(6)10-5-7;/h1-4H,5H2;1H.
What are the key properties of 2H-1,6-naphthyridin-3-one;hydrochloride?
2H-1,6-naphthyridin-3-one;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,6-naphthyridin-3-one;hydrochloride is sourced from PubChem (CID 140768673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).