7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one

C9H7BrN2O2 — CID 142818668

IUPAC7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
SMILESCOc1c(Br)[nH]c(=O)c2cccnc12
InChIInChI=1S/C9H7BrN2O2/c1-14-7-6-5(3-2-4-11-6)9(13)12-8(7)10/h2-4H,1H3,(H,12,13)
InChIKeyHVONZJSLDAFAML-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.69
Rot. Bonds1

About 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one

7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one (PubChem CID 142818668) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
PubChem CID142818668
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
SMILESCOc1c(Br)[nH]c(=O)c2cccnc12
InChIInChI=1S/C9H7BrN2O2/c1-14-7-6-5(3-2-4-11-6)9(13)12-8(7)10/h2-4H,1H3,(H,12,13)
InChIKeyHVONZJSLDAFAML-UHFFFAOYSA-N
XLogP1.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
5,7-dibromo-8-methoxyquinoline
CID 10805403
5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
5-bromo-8-methoxy-7-methylquinoline
CID 90145888
3-methoxy-4-methyl-1H-1,8-naphthyridin-2-one
CID 68612137
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
ethane;8-hydroxy-6H-1,6-naphthyridin-5-one
CID 91248042
6-bromo-3-methoxy-4-(2-methyl-3-pyridinyl)-1H-quinolin-2-one
CID 166884559
8-hydroxy-6H-1,6-naphthyridin-5-one
CID 57425179
4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one
CID 142216436
(5,7-dibromo-6-methylquinolin-8-yl)oxystibonic acid
CID 20836064
8-benzhydryloxy-5-methoxyquinoline-6,7-dicarboxylic acid
CID 150124520

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one (CID 142818668) is 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one is COc1c(Br)[nH]c(=O)c2cccnc12.
What is the InChIKey of 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one?
The InChIKey is HVONZJSLDAFAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-7-6-5(3-2-4-11-6)9(13)12-8(7)10/h2-4H,1H3,(H,12,13).
What are the key properties of 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one?
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one has a molecular weight of 255.07 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 142818668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).