8-bromo-2-chloro-6H-1,6-naphthyridin-7-one

C8H4BrClN2O — CID 155674873

IUPAC8-bromo-2-chloro-6H-1,6-naphthyridin-7-one
SMILESO=c1[nH]cc2ccc(Cl)nc2c1Br
InChIInChI=1S/C8H4BrClN2O/c9-6-7-4(3-11-8(6)13)1-2-5(10)12-7/h1-3H,(H,11,13)
InChIKeyGCPYESVMTLMZGX-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.34
Rot. Bonds

About 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one

8-bromo-2-chloro-6H-1,6-naphthyridin-7-one (PubChem CID 155674873) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-bromo-2-chloro-6H-1,6-naphthyridin-7-one
PubChem CID155674873
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name8-bromo-2-chloro-6H-1,6-naphthyridin-7-one
SMILESO=c1[nH]cc2ccc(Cl)nc2c1Br
InChIInChI=1S/C8H4BrClN2O/c9-6-7-4(3-11-8(6)13)1-2-5(10)12-7/h1-3H,(H,11,13)
InChIKeyGCPYESVMTLMZGX-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one?
The IUPAC name of 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one (CID 155674873) is 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one is O=c1[nH]cc2ccc(Cl)nc2c1Br.
What is the InChIKey of 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one?
The InChIKey is GCPYESVMTLMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-6-7-4(3-11-8(6)13)1-2-5(10)12-7/h1-3H,(H,11,13).
What are the key properties of 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one?
8-bromo-2-chloro-6H-1,6-naphthyridin-7-one has a molecular weight of 259.49 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 155674873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).