5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol

C19H10ClF3N2O2 — CID 163234189

IUPAC5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol
SMILESOc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3F)c2)cc1Cl
InChIInChI=1S/C19H10ClF3N2O2/c20-12-6-10(2-4-15(12)26)9-1-3-13-11(5-9)8-24-25(13)14-7-16(27)18(22)19(23)17(14)21/h1-8,26-27H
InChIKeyZJASDKRLASUYIK-UHFFFAOYSA-N
MW390.75 g/mol
LogP5.17
Rot. Bonds2

About 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol

5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol (PubChem CID 163234189) has the molecular formula C19H10ClF3N2O2 and a molecular weight of 390.75 g/mol. Its IUPAC name is 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol.

Molecular Properties

Compound Name5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol
PubChem CID163234189
Molecular FormulaC19H10ClF3N2O2
Molecular Weight390.75 g/mol
Exact Mass390.04
IUPAC Name5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol
SMILESOc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3F)c2)cc1Cl
InChIInChI=1S/C19H10ClF3N2O2/c20-12-6-10(2-4-15(12)26)9-1-3-13-11(5-9)8-24-25(13)14-7-16(27)18(22)19(23)17(14)21/h1-8,26-27H
InChIKeyZJASDKRLASUYIK-UHFFFAOYSA-N
XLogP5.17
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.75
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol?
The IUPAC name of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol (CID 163234189) is 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol.
What is the SMILES notation for 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol?
The canonical SMILES for 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol is Oc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3F)c2)cc1Cl.
What is the InChIKey of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol?
The InChIKey is ZJASDKRLASUYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O2/c20-12-6-10(2-4-15(12)26)9-1-3-13-11(5-9)8-24-25(13)14-7-16(27)18(22)19(23)17(14)21/h1-8,26-27H.
What are the key properties of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol?
5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol has a molecular weight of 390.75 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol is sourced from PubChem (CID 163234189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).