6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one

C13H10BrFN4O — CID 166094466

IUPAC6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one
SMILESNc1nc(F)c(Br)cc1-c1cc2c(cn1)C(=O)NCC2
InChIInChI=1S/C13H10BrFN4O/c14-9-4-7(12(16)19-11(9)15)10-3-6-1-2-17-13(20)8(6)5-18-10/h3-5H,1-2H2,(H2,16,19)(H,17,20)
InChIKeyZMELFXBHSYCAOX-UHFFFAOYSA-N
MW337.15 g/mol
LogP1.91
Rot. Bonds1

About 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one

6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one (PubChem CID 166094466) has the molecular formula C13H10BrFN4O and a molecular weight of 337.15 g/mol. Its IUPAC name is 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one
PubChem CID166094466
Molecular FormulaC13H10BrFN4O
Molecular Weight337.15 g/mol
Exact Mass336.00
IUPAC Name6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one
SMILESNc1nc(F)c(Br)cc1-c1cc2c(cn1)C(=O)NCC2
InChIInChI=1S/C13H10BrFN4O/c14-9-4-7(12(16)19-11(9)15)10-3-6-1-2-17-13(20)8(6)5-18-10/h3-5H,1-2H2,(H2,16,19)(H,17,20)
InChIKeyZMELFXBHSYCAOX-UHFFFAOYSA-N
XLogP1.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one (CID 166094466) is 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one is Nc1nc(F)c(Br)cc1-c1cc2c(cn1)C(=O)NCC2.
What is the InChIKey of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one?
The InChIKey is ZMELFXBHSYCAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4O/c14-9-4-7(12(16)19-11(9)15)10-3-6-1-2-17-13(20)8(6)5-18-10/h3-5H,1-2H2,(H2,16,19)(H,17,20).
What are the key properties of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one?
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one has a molecular weight of 337.15 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-3,4-dihydro-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 166094466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).