7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one

C10H8BrFN2O — CID 156789811

IUPAC7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(Br)nc2n1CCF
InChIInChI=1S/C10H8BrFN2O/c11-8-3-1-7-2-4-9(15)14(6-5-12)10(7)13-8/h1-4H,5-6H2
InChIKeyVTJBGWYSSVBFQY-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.13
Rot. Bonds2

About 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one

7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one (PubChem CID 156789811) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one
PubChem CID156789811
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(Br)nc2n1CCF
InChIInChI=1S/C10H8BrFN2O/c11-8-3-1-7-2-4-9(15)14(6-5-12)10(7)13-8/h1-4H,5-6H2
InChIKeyVTJBGWYSSVBFQY-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one?
The IUPAC name of 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one (CID 156789811) is 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one is O=c1ccc2ccc(Br)nc2n1CCF.
What is the InChIKey of 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one?
The InChIKey is VTJBGWYSSVBFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-8-3-1-7-2-4-9(15)14(6-5-12)10(7)13-8/h1-4H,5-6H2.
What are the key properties of 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one?
7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one has a molecular weight of 271.09 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 156789811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).