ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate

C14H13FN2O3 — CID 66736918

IUPACethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C14H13FN2O3/c1-3-20-13(18)7-4-9-10(15)8-16-11-5-6-12(19-2)17-14(9)11/h4-8H,3H2,1-2H3
InChIKeyVDZFNOXWNGIGAB-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.35
Rot. Bonds4

About ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate

ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate (PubChem CID 66736918) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
PubChem CID66736918
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Nameethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c(F)cnc2ccc(OC)nc12
InChIInChI=1S/C14H13FN2O3/c1-3-20-13(18)7-4-9-10(15)8-16-11-5-6-12(19-2)17-14(9)11/h4-8H,3H2,1-2H3
InChIKeyVDZFNOXWNGIGAB-UHFFFAOYSA-N
XLogP2.35
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
CID 169480678
ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
CID 90362983
ethyl 3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate
CID 76571776
ethyl (E)-3-(6-bromo-2-fluoro-3-pyridinyl)prop-2-enoate
CID 142420383
ethyl 3-(2,3,6-trifluorophenyl)prop-2-enoate
CID 169480214
3-butan-2-yloxy-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopropanoic acid
CID 67131048
[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
CID 177226897
ethyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 169480514
ethyl (E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoate
CID 11608661
ethyl (E)-3-(4-amino-2,6-dimethylpyrimidin-5-yl)prop-2-enoate
CID 12795374
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate (CID 66736918) is ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate is CCOC(=O)C=Cc1c(F)cnc2ccc(OC)nc12.
What is the InChIKey of ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate?
The InChIKey is VDZFNOXWNGIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-3-20-13(18)7-4-9-10(15)8-16-11-5-6-12(19-2)17-14(9)11/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate?
ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate has a molecular weight of 276.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoate is sourced from PubChem (CID 66736918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).