3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile

C20H12FN3O — CID 163234150

IUPAC3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1
InChIInChI=1S/C20H12FN3O/c21-18-6-5-17(10-20(18)25)24-19-7-4-15(9-16(19)12-23-24)14-3-1-2-13(8-14)11-22/h1-10,12,25H
InChIKeyONAQKZBDQINUBY-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.41
Rot. Bonds2

About 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile

3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile (PubChem CID 163234150) has the molecular formula C20H12FN3O and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
PubChem CID163234150
Molecular FormulaC20H12FN3O
Molecular Weight329.33 g/mol
Exact Mass329.10
IUPAC Name3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1
InChIInChI=1S/C20H12FN3O/c21-18-6-5-17(10-20(18)25)24-19-7-4-15(9-16(19)12-23-24)14-3-1-2-13(8-14)11-22/h1-10,12,25H
InChIKeyONAQKZBDQINUBY-UHFFFAOYSA-N
XLogP4.41
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile 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-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
The IUPAC name of 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile (CID 163234150) is 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
The canonical SMILES for 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)c1.
What is the InChIKey of 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
The InChIKey is ONAQKZBDQINUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O/c21-18-6-5-17(10-20(18)25)24-19-7-4-15(9-16(19)12-23-24)14-3-1-2-13(8-14)11-22/h1-10,12,25H.
What are the key properties of 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile?
3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile has a molecular weight of 329.33 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]benzonitrile is sourced from PubChem (CID 163234150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).