2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone

C13H11BrN2O3 — CID 163249927

IUPAC2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone
SMILESO=C(CBr)c1ccnc2ccc(OC3COC3)nc12
InChIInChI=1S/C13H11BrN2O3/c14-5-11(17)9-3-4-15-10-1-2-12(16-13(9)10)19-8-6-18-7-8/h1-4,8H,5-7H2
InChIKeyLIYKSBZTEJOPIT-UHFFFAOYSA-N
MW323.15 g/mol
LogP1.99
Rot. Bonds4

About 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone

2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone (PubChem CID 163249927) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone
PubChem CID163249927
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone
SMILESO=C(CBr)c1ccnc2ccc(OC3COC3)nc12
InChIInChI=1S/C13H11BrN2O3/c14-5-11(17)9-3-4-15-10-1-2-12(16-13(9)10)19-8-6-18-7-8/h1-4,8H,5-7H2
InChIKeyLIYKSBZTEJOPIT-UHFFFAOYSA-N
XLogP1.99
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(3R)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 175953789
2-[6-[(3S)-oxan-3-yl]oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 175953786
3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid
CID 102607093
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-bromo-1-thieno[3,2-b]pyridin-7-ylethanone
CID 162684232
8-chloro-2-ethoxy-1,5-naphthyridine
CID 602078
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721
2-fluoro-6-(oxetan-3-yloxy)pyridine
CID 102606191
5-methyl-2-(oxetan-3-yloxy)pyridine
CID 126954908
(Z)-2-hydrazinyl-1-(6-methoxy-1,5-naphthyridin-4-yl)ethenamine
CID 142961518
bis[2-(bromomethyl)-6-methoxy-1,5-naphthyridin-4-yl]methanone;(1R)-2-bromo-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 68806481

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone?
The IUPAC name of 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone (CID 163249927) is 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone.
What is the SMILES notation for 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone?
The canonical SMILES for 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone is O=C(CBr)c1ccnc2ccc(OC3COC3)nc12.
What is the InChIKey of 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone?
The InChIKey is LIYKSBZTEJOPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-5-11(17)9-3-4-15-10-1-2-12(16-13(9)10)19-8-6-18-7-8/h1-4,8H,5-7H2.
What are the key properties of 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone?
2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone has a molecular weight of 323.15 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[6-(oxetan-3-yloxy)-1,5-naphthyridin-4-yl]ethanone is sourced from PubChem (CID 163249927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).