1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol

C16H12F2N2O — CID 58318640

IUPAC1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol
SMILESCC(O)c1cc2ncccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H12F2N2O/c1-9(21)13-8-15-14(3-2-4-19-15)20-16(13)10-5-11(17)7-12(18)6-10/h2-9,21H,1H3
InChIKeyJDPPCHKCRLAJAK-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.63
Rot. Bonds2

About 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol

1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol (PubChem CID 58318640) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol
PubChem CID58318640
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol
SMILESCC(O)c1cc2ncccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H12F2N2O/c1-9(21)13-8-15-14(3-2-4-19-15)20-16(13)10-5-11(17)7-12(18)6-10/h2-9,21H,1H3
InChIKeyJDPPCHKCRLAJAK-UHFFFAOYSA-N
XLogP3.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol?
The IUPAC name of 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol (CID 58318640) is 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol is CC(O)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol?
The InChIKey is JDPPCHKCRLAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-9(21)13-8-15-14(3-2-4-19-15)20-16(13)10-5-11(17)7-12(18)6-10/h2-9,21H,1H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol?
1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol has a molecular weight of 286.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanol is sourced from PubChem (CID 58318640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).