ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate

C11H9BrN2O3 — CID 123135674

IUPACethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(Br)ccnc2c1=O
InChIInChI=1S/C11H9BrN2O3/c1-2-17-11(16)6-5-14-8-7(12)3-4-13-9(8)10(6)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyUCGZOJSWCJDCHK-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.86
Rot. Bonds2

About ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate

ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 123135674) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
PubChem CID123135674
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Nameethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(Br)ccnc2c1=O
InChIInChI=1S/C11H9BrN2O3/c1-2-17-11(16)6-5-14-8-7(12)3-4-13-9(8)10(6)15/h3-5H,2H2,1H3,(H,14,15)
InChIKeyUCGZOJSWCJDCHK-UHFFFAOYSA-N
XLogP1.86
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 7-bromo-3H-benzimidazole-4-carboxylate
CID 131300267
ethyl 8-bromo-5-chloro-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 104725011
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 134914387
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59242632
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 15675226
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate (CID 123135674) is ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2c(Br)ccnc2c1=O.
What is the InChIKey of ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is UCGZOJSWCJDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-2-17-11(16)6-5-14-8-7(12)3-4-13-9(8)10(6)15/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate?
ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 297.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 123135674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).