1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione

C16H7BrF2N2O2 — CID 146662052

IUPAC1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H7BrF2N2O2/c17-9-6-14-12(20-7-9)3-4-13(21-14)16(23)15(22)8-1-2-10(18)11(19)5-8/h1-7H
InChIKeySESLIJKWSRJSHM-UHFFFAOYSA-N
MW377.14 g/mol
LogP3.74
Rot. Bonds3

About 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione

1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione (PubChem CID 146662052) has the molecular formula C16H7BrF2N2O2 and a molecular weight of 377.14 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione
PubChem CID146662052
Molecular FormulaC16H7BrF2N2O2
Molecular Weight377.14 g/mol
Exact Mass375.97
IUPAC Name1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H7BrF2N2O2/c17-9-6-14-12(20-7-9)3-4-13(21-14)16(23)15(22)8-1-2-10(18)11(19)5-8/h1-7H
InChIKeySESLIJKWSRJSHM-UHFFFAOYSA-N
XLogP3.74
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.14
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione (CID 146662052) is 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione is O=C(C(=O)c1ccc2ncc(Br)cc2n1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione?
The InChIKey is SESLIJKWSRJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrF2N2O2/c17-9-6-14-12(20-7-9)3-4-13(21-14)16(23)15(22)8-1-2-10(18)11(19)5-8/h1-7H.
What are the key properties of 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione?
1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione has a molecular weight of 377.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-2-yl)-2-(3,4-difluorophenyl)ethane-1,2-dione is sourced from PubChem (CID 146662052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).