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

C19H13ClFN3O2 — CID 163233970

IUPAC2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol
SMILESOc1cc(-n2ncc3cc(Nc4ccc(O)c(Cl)c4)ccc32)ccc1F
InChIInChI=1S/C19H13ClFN3O2/c20-15-8-13(2-6-18(15)25)23-12-1-5-17-11(7-12)10-22-24(17)14-3-4-16(21)19(26)9-14/h1-10,23,25-26H
InChIKeyVZKLNPAFLKFQRB-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.97
Rot. Bonds3

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

2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol (PubChem CID 163233970) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol
PubChem CID163233970
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol
SMILESOc1cc(-n2ncc3cc(Nc4ccc(O)c(Cl)c4)ccc32)ccc1F
InChIInChI=1S/C19H13ClFN3O2/c20-15-8-13(2-6-18(15)25)23-12-1-5-17-11(7-12)10-22-24(17)14-3-4-16(21)19(26)9-14/h1-10,23,25-26H
InChIKeyVZKLNPAFLKFQRB-UHFFFAOYSA-N
XLogP4.97
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Chloro-4-hydroxyphenyl)indazol-5-ol
CID 11184545
2-Chloro-4-(1-(2-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233808
2-Chloro-4-(1-(3-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233899
5-(5-(3-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233963
N-(3-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenyl)acetamide
CID 163233992
5-(5-(4-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233999
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013
5-(5-(3-Chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,4-difluorophenol
CID 163234057
5-(5-((3-Chloro-4-methoxyphenyl)amino)-1H-indazol-1-yl)-2-fluorophenol
CID 163234159
5-(5-(2-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234162
2-Chloro-4-(2-(4-fluoro-3-hydroxyphenyl)-2H-indazol-5-yl)phenol
CID 163234168
5-[5-(3-Chloro-4-hydroxyphenyl)indazol-1-yl]-2,3,4-trifluorophenol
CID 163234189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol?
The IUPAC name of 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol (CID 163233970) is 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol.
What is the SMILES notation for 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol?
The canonical SMILES for 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol is Oc1cc(-n2ncc3cc(Nc4ccc(O)c(Cl)c4)ccc32)ccc1F.
What is the InChIKey of 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol?
The InChIKey is VZKLNPAFLKFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c20-15-8-13(2-6-18(15)25)23-12-1-5-17-11(7-12)10-22-24(17)14-3-4-16(21)19(26)9-14/h1-10,23,25-26H.
What are the key properties of 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol?
2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol has a molecular weight of 369.78 g/mol, XLogP of 4.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]amino]phenol is sourced from PubChem (CID 163233970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).