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

C19H12ClFN2O2 — CID 170685665

IUPAC2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(Cl)c(O)c4)ccc32)ccc1F
InChIInChI=1S/C19H12ClFN2O2/c20-15-4-1-12(8-18(15)24)11-2-6-17-13(7-11)10-22-23(17)14-3-5-16(21)19(25)9-14/h1-10,24-25H
InChIKeyBRHBQPXRDHAGDA-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.90
Rot. Bonds2

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

2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol (PubChem CID 170685665) has the molecular formula C19H12ClFN2O2 and a molecular weight of 354.77 g/mol. Its IUPAC name is 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol
PubChem CID170685665
Molecular FormulaC19H12ClFN2O2
Molecular Weight354.77 g/mol
Exact Mass354.06
IUPAC Name2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol
SMILESOc1cc(-n2ncc3cc(-c4ccc(Cl)c(O)c4)ccc32)ccc1F
InChIInChI=1S/C19H12ClFN2O2/c20-15-4-1-12(8-18(15)24)11-2-6-17-13(7-11)10-22-23(17)14-3-5-16(21)19(25)9-14/h1-10,24-25H
InChIKeyBRHBQPXRDHAGDA-UHFFFAOYSA-N
XLogP4.90
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
The IUPAC name of 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol (CID 170685665) is 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
The canonical SMILES for 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol is Oc1cc(-n2ncc3cc(-c4ccc(Cl)c(O)c4)ccc32)ccc1F.
What is the InChIKey of 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
The InChIKey is BRHBQPXRDHAGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2/c20-15-4-1-12(8-18(15)24)11-2-6-17-13(7-11)10-22-23(17)14-3-5-16(21)19(25)9-14/h1-10,24-25H.
What are the key properties of 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol?
2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol has a molecular weight of 354.77 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]phenol is sourced from PubChem (CID 170685665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).