8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one

C10H7BrF3N3O — CID 175478430

IUPAC8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
SMILESO=c1[nH]cc2ccc(NC(F)C(F)F)nc2c1Br
InChIInChI=1S/C10H7BrF3N3O/c11-6-7-4(3-15-10(6)18)1-2-5(16-7)17-9(14)8(12)13/h1-3,8-9H,(H,15,18)(H,16,17)
InChIKeyABETVWGDNHUYGF-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.66
Rot. Bonds3

About 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one

8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one (PubChem CID 175478430) has the molecular formula C10H7BrF3N3O and a molecular weight of 322.08 g/mol. Its IUPAC name is 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
PubChem CID175478430
Molecular FormulaC10H7BrF3N3O
Molecular Weight322.08 g/mol
Exact Mass320.97
IUPAC Name8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
SMILESO=c1[nH]cc2ccc(NC(F)C(F)F)nc2c1Br
InChIInChI=1S/C10H7BrF3N3O/c11-6-7-4(3-15-10(6)18)1-2-5(16-7)17-9(14)8(12)13/h1-3,8-9H,(H,15,18)(H,16,17)
InChIKeyABETVWGDNHUYGF-UHFFFAOYSA-N
XLogP2.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
The IUPAC name of 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one (CID 175478430) is 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one is O=c1[nH]cc2ccc(NC(F)C(F)F)nc2c1Br.
What is the InChIKey of 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
The InChIKey is ABETVWGDNHUYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3O/c11-6-7-4(3-15-10(6)18)1-2-5(16-7)17-9(14)8(12)13/h1-3,8-9H,(H,15,18)(H,16,17).
What are the key properties of 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one?
8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one has a molecular weight of 322.08 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(1,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 175478430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).