3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

C17H10FNO2 — CID 11437418

IUPAC3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12
InChIInChI=1S/C17H10FNO2/c18-17-8-14(21)3-4-15(17)11-5-10-1-2-13(20)7-16(10)12(6-11)9-19/h1-8,20-21H
InChIKeyTYKGMSWZEALPBQ-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.93
Rot. Bonds1

About 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile

3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (PubChem CID 11437418) has the molecular formula C17H10FNO2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
PubChem CID11437418
Molecular FormulaC17H10FNO2
Molecular Weight279.27 g/mol
Exact Mass279.07
IUPAC Name3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12
InChIInChI=1S/C17H10FNO2/c18-17-8-14(21)3-4-15(17)11-5-10-1-2-13(20)7-16(10)12(6-11)9-19/h1-8,20-21H
InChIKeyTYKGMSWZEALPBQ-UHFFFAOYSA-N
XLogP3.93
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The IUPAC name of 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (CID 11437418) is 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The canonical SMILES for 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is N#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12.
What is the InChIKey of 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The InChIKey is TYKGMSWZEALPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2/c18-17-8-14(21)3-4-15(17)11-5-10-1-2-13(20)7-16(10)12(6-11)9-19/h1-8,20-21H.
What are the key properties of 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile has a molecular weight of 279.27 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is sourced from PubChem (CID 11437418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).