5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile

C20H11ClFN3O2 — CID 170685637

IUPAC5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccc(F)c(O)c2)c2ccc(-c3ccc(O)c(Cl)c3)cc12
InChIInChI=1S/C20H11ClFN3O2/c21-15-8-12(2-6-19(15)26)11-1-5-18-14(7-11)17(10-23)24-25(18)13-3-4-16(22)20(27)9-13/h1-9,26-27H
InChIKeyVGILSCAKNLLRDA-UHFFFAOYSA-N
MW379.78 g/mol
LogP4.77
Rot. Bonds2

About 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile

5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile (PubChem CID 170685637) has the molecular formula C20H11ClFN3O2 and a molecular weight of 379.78 g/mol. Its IUPAC name is 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile.

Molecular Properties

Compound Name5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile
PubChem CID170685637
Molecular FormulaC20H11ClFN3O2
Molecular Weight379.78 g/mol
Exact Mass379.05
IUPAC Name5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile
SMILESN#Cc1nn(-c2ccc(F)c(O)c2)c2ccc(-c3ccc(O)c(Cl)c3)cc12
InChIInChI=1S/C20H11ClFN3O2/c21-15-8-12(2-6-19(15)26)11-1-5-18-14(7-11)17(10-23)24-25(18)13-3-4-16(22)20(27)9-13/h1-9,26-27H
InChIKeyVGILSCAKNLLRDA-UHFFFAOYSA-N
XLogP4.77
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile?
The IUPAC name of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile (CID 170685637) is 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile.
What is the SMILES notation for 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile?
The canonical SMILES for 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile is N#Cc1nn(-c2ccc(F)c(O)c2)c2ccc(-c3ccc(O)c(Cl)c3)cc12.
What is the InChIKey of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile?
The InChIKey is VGILSCAKNLLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFN3O2/c21-15-8-12(2-6-19(15)26)11-1-5-18-14(7-11)17(10-23)24-25(18)13-3-4-16(22)20(27)9-13/h1-9,26-27H.
What are the key properties of 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile?
5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile has a molecular weight of 379.78 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-hydroxyphenyl)-1-(4-fluoro-3-hydroxyphenyl)indazole-3-carbonitrile is sourced from PubChem (CID 170685637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).