[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate

C13H13FN2O4 — CID 177226897

IUPAC[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
SMILESCOc1ccc2ncc(F)c(C(CO)OC(C)=O)c2n1
InChIInChI=1S/C13H13FN2O4/c1-7(18)20-10(6-17)12-8(14)5-15-9-3-4-11(19-2)16-13(9)12/h3-5,10,17H,6H2,1-2H3
InChIKeyZPEDHJOTBGPRQF-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.37
Rot. Bonds4

About [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate

[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate (PubChem CID 177226897) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
PubChem CID177226897
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
SMILESCOc1ccc2ncc(F)c(C(CO)OC(C)=O)c2n1
InChIInChI=1S/C13H13FN2O4/c1-7(18)20-10(6-17)12-8(14)5-15-9-3-4-11(19-2)16-13(9)12/h3-5,10,17H,6H2,1-2H3
InChIKeyZPEDHJOTBGPRQF-UHFFFAOYSA-N
XLogP1.37
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
CID 90362983
3-butan-2-yloxy-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopropanoic acid
CID 67131048
ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
CID 66736918
[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71152833
tert-butyl N-[(4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]-4-hydroxypiperidin-3-yl]carbamate
CID 70883923
7-fluoro-2-methoxy-8-(2-phenylethyl)-1,5-naphthyridine
CID 141180436
tert-butyl N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]-2-thiabicyclo[2.2.2]octan-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 71181501
tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
CID 67131153
[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid
CID 141388458
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5S)-5-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-5-hydroxypentyl]-1,3-oxazolidin-2-one
CID 66737678
[1-tert-butyl-1-[2-(6-fluoro-3-methoxyquinoxalin-5-yl)-3-hydroxypropyl]piperidin-1-ium-4-yl]carbamic acid
CID 69279597
butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate
CID 169088316

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate?
The IUPAC name of [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate (CID 177226897) is [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate.
What is the SMILES notation for [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate?
The canonical SMILES for [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate is COc1ccc2ncc(F)c(C(CO)OC(C)=O)c2n1.
What is the InChIKey of [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate?
The InChIKey is ZPEDHJOTBGPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-7(18)20-10(6-17)12-8(14)5-15-9-3-4-11(19-2)16-13(9)12/h3-5,10,17H,6H2,1-2H3.
What are the key properties of [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate?
[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate has a molecular weight of 280.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate is sourced from PubChem (CID 177226897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).