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

C19H11ClF2N2O2 — CID 163234057

IUPAC5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)c(F)cc1F
InChIInChI=1S/C19H11ClF2N2O2/c20-13-6-11(2-4-18(13)25)10-1-3-16-12(5-10)9-23-24(16)17-8-19(26)15(22)7-14(17)21/h1-9,25-26H
InChIKeyUDHLPYTWOQRICY-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.04
Rot. Bonds2

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

5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol (PubChem CID 163234057) has the molecular formula C19H11ClF2N2O2 and a molecular weight of 372.76 g/mol. Its IUPAC name is 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol.

Molecular Properties

Compound Name5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol
PubChem CID163234057
Molecular FormulaC19H11ClF2N2O2
Molecular Weight372.76 g/mol
Exact Mass372.05
IUPAC Name5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)c(F)cc1F
InChIInChI=1S/C19H11ClF2N2O2/c20-13-6-11(2-4-18(13)25)10-1-3-16-12(5-10)9-23-24(16)17-8-19(26)15(22)7-14(17)21/h1-9,25-26H
InChIKeyUDHLPYTWOQRICY-UHFFFAOYSA-N
XLogP5.04
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol?
The IUPAC name of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol (CID 163234057) is 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol.
What is the SMILES notation for 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol?
The canonical SMILES for 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol is Oc1cc(-n2ncc3cc(-c4ccc(O)c(Cl)c4)ccc32)c(F)cc1F.
What is the InChIKey of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol?
The InChIKey is UDHLPYTWOQRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2O2/c20-13-6-11(2-4-18(13)25)10-1-3-16-12(5-10)9-23-24(16)17-8-19(26)15(22)7-14(17)21/h1-9,25-26H.
What are the key properties of 5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol?
5-[5-(3-chloro-4-hydroxyphenyl)indazol-1-yl]-2,4-difluorophenol has a molecular weight of 372.76 g/mol, XLogP of 5.04, 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]-2,4-difluorophenol is sourced from PubChem (CID 163234057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).