5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol

C19H10Cl2F2N2O2 — CID 163233880

IUPAC5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
SMILESOc1ccc(-c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)c(Cl)c1
InChIInChI=1S/C19H10Cl2F2N2O2/c20-14-6-11(26)1-2-12(14)13-3-9-8-24-25(17(9)7-15(13)21)10-4-16(22)19(23)18(27)5-10/h1-8,26-27H
InChIKeyVYZOTIYDAGTEMD-UHFFFAOYSA-N
MW407.20 g/mol
LogP5.69
Rot. Bonds2

About 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol

5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol (PubChem CID 163233880) has the molecular formula C19H10Cl2F2N2O2 and a molecular weight of 407.20 g/mol. Its IUPAC name is 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
PubChem CID163233880
Molecular FormulaC19H10Cl2F2N2O2
Molecular Weight407.20 g/mol
Exact Mass406.01
IUPAC Name5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
SMILESOc1ccc(-c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)c(Cl)c1
InChIInChI=1S/C19H10Cl2F2N2O2/c20-14-6-11(26)1-2-12(14)13-3-9-8-24-25(17(9)7-15(13)21)10-4-16(22)19(23)18(27)5-10/h1-8,26-27H
InChIKeyVYZOTIYDAGTEMD-UHFFFAOYSA-N
XLogP5.69
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.20
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol?
The IUPAC name of 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol (CID 163233880) is 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol.
What is the SMILES notation for 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol?
The canonical SMILES for 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol is Oc1ccc(-c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)c(Cl)c1.
What is the InChIKey of 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol?
The InChIKey is VYZOTIYDAGTEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F2N2O2/c20-14-6-11(26)1-2-12(14)13-3-9-8-24-25(17(9)7-15(13)21)10-4-16(22)19(23)18(27)5-10/h1-8,26-27H.
What are the key properties of 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol?
5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol has a molecular weight of 407.20 g/mol, XLogP of 5.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol is sourced from PubChem (CID 163233880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).