6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one

C21H21BrN4O2Si — CID 159302744

IUPAC6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one
SMILESC[Si](C)(C)C=Cc1cnc2[nH]c(=O)ccc2c1.O=c1ccc2cc(Br)cnc2[nH]1
InChIInChI=1S/C13H16N2OSi.C8H5BrN2O/c1-17(2,3)7-6-10-8-11-4-5-12(16)15-13(11)14-9-10;9-6-3-5-1-2-7(12)11-8(5)10-4-6/h4-9H,1-3H3,(H,14,15,16);1-4H,(H,10,11,12)
InChIKeyLBNQSDUEZRMNHC-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.50
Rot. Bonds2

About 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one

6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one (PubChem CID 159302744) has the molecular formula C21H21BrN4O2Si and a molecular weight of 469.42 g/mol. Its IUPAC name is 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one
PubChem CID159302744
Molecular FormulaC21H21BrN4O2Si
Molecular Weight469.42 g/mol
Exact Mass468.06
IUPAC Name6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one
SMILESC[Si](C)(C)C=Cc1cnc2[nH]c(=O)ccc2c1.O=c1ccc2cc(Br)cnc2[nH]1
InChIInChI=1S/C13H16N2OSi.C8H5BrN2O/c1-17(2,3)7-6-10-8-11-4-5-12(16)15-13(11)14-9-10;9-6-3-5-1-2-7(12)11-8(5)10-4-6/h4-9H,1-3H3,(H,14,15,16);1-4H,(H,10,11,12)
InChIKeyLBNQSDUEZRMNHC-UHFFFAOYSA-N
XLogP4.50
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one (CID 159302744) is 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one is C[Si](C)(C)C=Cc1cnc2[nH]c(=O)ccc2c1.O=c1ccc2cc(Br)cnc2[nH]1.
What is the InChIKey of 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is LBNQSDUEZRMNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OSi.C8H5BrN2O/c1-17(2,3)7-6-10-8-11-4-5-12(16)15-13(11)14-9-10;9-6-3-5-1-2-7(12)11-8(5)10-4-6/h4-9H,1-3H3,(H,14,15,16);1-4H,(H,10,11,12).
What are the key properties of 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one?
6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 469.42 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-1,8-naphthyridin-2-one;6-(2-trimethylsilylethenyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 159302744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).