6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

C11H9BrN2O3 — CID 166831391

IUPAC6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)cc2cc(Br)cnc21
InChIInChI=1S/C11H9BrN2O3/c1-2-14-9-6(3-7(12)5-13-9)4-8(10(14)15)11(16)17/h3-5H,2H2,1H3,(H,16,17)
InChIKeyCCONSLZSCZVFHA-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.88
Rot. Bonds2

About 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid

6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 166831391) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID166831391
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1c(=O)c(C(=O)O)cc2cc(Br)cnc21
InChIInChI=1S/C11H9BrN2O3/c1-2-14-9-6(3-7(12)5-13-9)4-8(10(14)15)11(16)17/h3-5H,2H2,1H3,(H,16,17)
InChIKeyCCONSLZSCZVFHA-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 166831391) is 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1c(=O)c(C(=O)O)cc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CCONSLZSCZVFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-2-14-9-6(3-7(12)5-13-9)4-8(10(14)15)11(16)17/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid?
6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 297.11 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 166831391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).