6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one

C12H15BrN2O3 — CID 168996693

IUPAC6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(OCCBr)cnc2N1CCO
InChIInChI=1S/C12H15BrN2O3/c13-3-6-18-10-7-9-1-2-11(17)15(4-5-16)12(9)14-8-10/h7-8,16H,1-6H2
InChIKeyJUDWNBLXFMTJGQ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.13
Rot. Bonds5

About 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one

6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 168996693) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID168996693
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(OCCBr)cnc2N1CCO
InChIInChI=1S/C12H15BrN2O3/c13-3-6-18-10-7-9-1-2-11(17)15(4-5-16)12(9)14-8-10/h7-8,16H,1-6H2
InChIKeyJUDWNBLXFMTJGQ-UHFFFAOYSA-N
XLogP1.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one (CID 168996693) is 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one is O=C1CCc2cc(OCCBr)cnc2N1CCO.
What is the InChIKey of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is JUDWNBLXFMTJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-3-6-18-10-7-9-1-2-11(17)15(4-5-16)12(9)14-8-10/h7-8,16H,1-6H2.
What are the key properties of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one?
6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 315.17 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 168996693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).