(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid

C13H15BN2O5 — CID 140944007

IUPAC(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
SMILESCCOC(=O)c1cn(CC)c2ncc(B(O)O)cc2c1=O
InChIInChI=1S/C13H15BN2O5/c1-3-16-7-10(13(18)21-4-2)11(17)9-5-8(14(19)20)6-15-12(9)16/h5-7,19-20H,3-4H2,1-2H3
InChIKeyNDFIOOKTCQBIMP-UHFFFAOYSA-N
MW290.08 g/mol
LogP-0.73
Rot. Bonds4

About (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid

(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid (PubChem CID 140944007) has the molecular formula C13H15BN2O5 and a molecular weight of 290.08 g/mol. Its IUPAC name is (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid.

Molecular Properties

Compound Name(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
PubChem CID140944007
Molecular FormulaC13H15BN2O5
Molecular Weight290.08 g/mol
Exact Mass290.11
IUPAC Name(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
SMILESCCOC(=O)c1cn(CC)c2ncc(B(O)O)cc2c1=O
InChIInChI=1S/C13H15BN2O5/c1-3-16-7-10(13(18)21-4-2)11(17)9-5-8(14(19)20)6-15-12(9)16/h5-7,19-20H,3-4H2,1-2H3
InChIKeyNDFIOOKTCQBIMP-UHFFFAOYSA-N
XLogP-0.73
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[6-ethoxycarbonyl-5-oxo-8-(pyridin-4-ylmethyl)-1,8-naphthyridin-3-yl]boronic acid
CID 140943983
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
[6-ethoxycarbonyl-8-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-5-oxo-1,8-naphthyridin-3-yl]boronic acid
CID 140943955
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 68750807
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
CID 163666721
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896

Frequently Asked Questions

What is the IUPAC name of (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid?
The IUPAC name of (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid (CID 140944007) is (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid.
What is the SMILES notation for (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid?
The canonical SMILES for (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid is CCOC(=O)c1cn(CC)c2ncc(B(O)O)cc2c1=O.
What is the InChIKey of (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid?
The InChIKey is NDFIOOKTCQBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BN2O5/c1-3-16-7-10(13(18)21-4-2)11(17)9-5-8(14(19)20)6-15-12(9)16/h5-7,19-20H,3-4H2,1-2H3.
What are the key properties of (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid?
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid has a molecular weight of 290.08 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid is sourced from PubChem (CID 140944007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).