3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

C17H9F2NO2 — CID 10171732

IUPAC3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2cc(F)c(O)c(F)c2)cc2ccc(O)cc12
InChIInChI=1S/C17H9F2NO2/c18-15-5-11(6-16(19)17(15)22)10-3-9-1-2-13(21)7-14(9)12(4-10)8-20/h1-7,21-22H
InChIKeyNTESIIXLFNAOOM-UHFFFAOYSA-N
MW297.26 g/mol
LogP4.07
Rot. Bonds1

About 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (PubChem CID 10171732) has the molecular formula C17H9F2NO2 and a molecular weight of 297.26 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
PubChem CID10171732
Molecular FormulaC17H9F2NO2
Molecular Weight297.26 g/mol
Exact Mass297.06
IUPAC Name3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2cc(F)c(O)c(F)c2)cc2ccc(O)cc12
InChIInChI=1S/C17H9F2NO2/c18-15-5-11(6-16(19)17(15)22)10-3-9-1-2-13(21)7-14(9)12(4-10)8-20/h1-7,21-22H
InChIKeyNTESIIXLFNAOOM-UHFFFAOYSA-N
XLogP4.07
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The IUPAC name of 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (CID 10171732) is 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.
What is the SMILES notation for 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The canonical SMILES for 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is N#Cc1cc(-c2cc(F)c(O)c(F)c2)cc2ccc(O)cc12.
What is the InChIKey of 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The InChIKey is NTESIIXLFNAOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2NO2/c18-15-5-11(6-16(19)17(15)22)10-3-9-1-2-13(21)7-14(9)12(4-10)8-20/h1-7,21-22H.
What are the key properties of 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile has a molecular weight of 297.26 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is sourced from PubChem (CID 10171732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).