2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C14H21BrN2O2Si — CID 159477768

IUPAC2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCc2ncc(Br)cc2C1
InChIInChI=1S/C14H21BrN2O2Si/c1-20(2,3)7-6-19-14(18)17-5-4-13-11(10-17)8-12(15)9-16-13/h8-9H,4-7,10H2,1-3H3
InChIKeyIODYFPRSJJRGGY-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.68
Rot. Bonds3

About 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 159477768) has the molecular formula C14H21BrN2O2Si and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID159477768
Molecular FormulaC14H21BrN2O2Si
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESC[Si](C)(C)CCOC(=O)N1CCc2ncc(Br)cc2C1
InChIInChI=1S/C14H21BrN2O2Si/c1-20(2,3)7-6-19-14(18)17-5-4-13-11(10-17)8-12(15)9-16-13/h8-9H,4-7,10H2,1-3H3
InChIKeyIODYFPRSJJRGGY-UHFFFAOYSA-N
XLogP3.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxylate
CID 162392840
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492194
1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 69424274
tert-butyl 3-amino-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 159373493
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 163354303
(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-(2-methylcyclopropyl)methanone
CID 163354090
2-methoxyethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 175921968
tert-butyl 3-bromo-5,5,7,7-tetradeuterio-8H-1,6-naphthyridine-6-carboxylate
CID 176584788
2-trimethylsilylethyl 3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 90402431
benzyl 3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 137379852
2-trimethylsilylethyl 4-iodopiperidine-1-carboxylate
CID 22238408
CID 59700291
CID 59700291

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 159477768) is 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is C[Si](C)(C)CCOC(=O)N1CCc2ncc(Br)cc2C1.
What is the InChIKey of 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is IODYFPRSJJRGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2Si/c1-20(2,3)7-6-19-14(18)17-5-4-13-11(10-17)8-12(15)9-16-13/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 357.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-bromo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 159477768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).