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

C17H10FNO2 — CID 6102691

IUPAC3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12
InChIInChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
InChIKeyNSSOSHDCWCMNDM-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.93
Rot. Bonds1

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

3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (PubChem CID 6102691) has the molecular formula C17H10FNO2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
PubChem CID6102691
Molecular FormulaC17H10FNO2
Molecular Weight279.27 g/mol
Exact Mass279.07
IUPAC Name3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12
InChIInChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
InChIKeyNSSOSHDCWCMNDM-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

Analyze 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile (CID 6102691) is 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile.
What is the SMILES notation for 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The canonical SMILES for 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12.
What is the InChIKey of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
The InChIKey is NSSOSHDCWCMNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H.
What are the key properties of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile?
3-(3-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-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile is sourced from PubChem (CID 6102691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).