[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol

C16H12F2N2O2 — CID 86301659

IUPAC[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol
SMILESOCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C16H12F2N2O2/c17-13-2-1-10(3-14(13)18)9-22-12-5-16-15(20-7-12)4-11(8-21)6-19-16/h1-7,21H,8-9H2
InChIKeyIJWHNVNZIZUEOA-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.98
Rot. Bonds4

About [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol

[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol (PubChem CID 86301659) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol.

Molecular Properties

Compound Name[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol
PubChem CID86301659
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol
SMILESOCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1
InChIInChI=1S/C16H12F2N2O2/c17-13-2-1-10(3-14(13)18)9-22-12-5-16-15(20-7-12)4-11(8-21)6-19-16/h1-7,21H,8-9H2
InChIKeyIJWHNVNZIZUEOA-UHFFFAOYSA-N
XLogP2.98
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol?
The IUPAC name of [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol (CID 86301659) is [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol.
What is the SMILES notation for [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol?
The canonical SMILES for [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol is OCc1cnc2cc(OCc3ccc(F)c(F)c3)cnc2c1.
What is the InChIKey of [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol?
The InChIKey is IJWHNVNZIZUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c17-13-2-1-10(3-14(13)18)9-22-12-5-16-15(20-7-12)4-11(8-21)6-19-16/h1-7,21H,8-9H2.
What are the key properties of [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol?
[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol has a molecular weight of 302.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol is sourced from PubChem (CID 86301659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).