2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol

C19H11Cl2FN2O2 — CID 170685701

IUPAC2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol
SMILESOc1cc(-n2nc(Cl)c3cc(-c4ccc(O)c(Cl)c4)ccc32)ccc1F
InChIInChI=1S/C19H11Cl2FN2O2/c20-14-8-11(2-6-17(14)25)10-1-5-16-13(7-10)19(21)23-24(16)12-3-4-15(22)18(26)9-12/h1-9,25-26H
InChIKeyIYUNCHNAHFAWLP-UHFFFAOYSA-N
MW389.21 g/mol
LogP5.55
Rot. Bonds2

About 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol

2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol (PubChem CID 170685701) has the molecular formula C19H11Cl2FN2O2 and a molecular weight of 389.21 g/mol. Its IUPAC name is 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol
PubChem CID170685701
Molecular FormulaC19H11Cl2FN2O2
Molecular Weight389.21 g/mol
Exact Mass388.02
IUPAC Name2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol
SMILESOc1cc(-n2nc(Cl)c3cc(-c4ccc(O)c(Cl)c4)ccc32)ccc1F
InChIInChI=1S/C19H11Cl2FN2O2/c20-14-8-11(2-6-17(14)25)10-1-5-16-13(7-10)19(21)23-24(16)12-3-4-15(22)18(26)9-12/h1-9,25-26H
InChIKeyIYUNCHNAHFAWLP-UHFFFAOYSA-N
XLogP5.55
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.21
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
The IUPAC name of 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol (CID 170685701) is 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol is Oc1cc(-n2nc(Cl)c3cc(-c4ccc(O)c(Cl)c4)ccc32)ccc1F.
What is the InChIKey of 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
The InChIKey is IYUNCHNAHFAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2O2/c20-14-8-11(2-6-17(14)25)10-1-5-16-13(7-10)19(21)23-24(16)12-3-4-15(22)18(26)9-12/h1-9,25-26H.
What are the key properties of 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol has a molecular weight of 389.21 g/mol, XLogP of 5.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-chloro-1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol is sourced from PubChem (CID 170685701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).