5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol

C20H14ClFN2O2 — CID 163234127

IUPAC5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol
SMILESCOc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl
InChIInChI=1S/C20H14ClFN2O2/c1-26-20-7-3-13(9-16(20)21)12-2-6-18-14(8-12)11-23-24(18)15-4-5-17(22)19(25)10-15/h2-11,25H,1H3
InChIKeyHAUZMEFYGWIXNF-UHFFFAOYSA-N
MW368.80 g/mol
LogP5.20
Rot. Bonds3

About 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol

5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol (PubChem CID 163234127) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol
PubChem CID163234127
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC Name5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol
SMILESCOc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl
InChIInChI=1S/C20H14ClFN2O2/c1-26-20-7-3-13(9-16(20)21)12-2-6-18-14(8-12)11-23-24(18)15-4-5-17(22)19(25)10-15/h2-11,25H,1H3
InChIKeyHAUZMEFYGWIXNF-UHFFFAOYSA-N
XLogP5.20
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-(1-(2-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233808
2-(4-(1-(4-Fluoro-3-hydroxyphenyl)-1H-indazol-5-yl)phenoxy)acetic acid
CID 163233866
2-Fluoro-5-(5-(4-methoxyphenyl)-1H-indazol-1-yl)phenol
CID 163233868
5-(6-Cloro-5-(2-chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233880
2-Fluoro-5-(5-(4-hydroxyphenyl)-1H-indazol-1-yl)phenol
CID 163233888
2-Chloro-4-(1-(3-fluoro-5-hydroxyphenyl)-1H-indazol-5-yl)phenol
CID 163233899
5-(5-(2-Chloro-4-(difluoromethoxy)phenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233946
5-(5-(3-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163233963
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
2-Fluoro-5-(5-(m-tolyl)-1H-indazol-1-yl)phenol
CID 163234055
5-(5-(3-Chloro-4-hydroxyphenyl)-1H-indazol-1-yl)-2,4-difluorophenol
CID 163234057

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol (CID 163234127) is 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol is COc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)cc1Cl.
What is the InChIKey of 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol?
The InChIKey is HAUZMEFYGWIXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c1-26-20-7-3-13(9-16(20)21)12-2-6-18-14(8-12)11-23-24(18)15-4-5-17(22)19(25)10-15/h2-11,25H,1H3.
What are the key properties of 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol?
5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol has a molecular weight of 368.80 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chloro-4-methoxyphenyl)indazol-1-yl]-2-fluorophenol is sourced from PubChem (CID 163234127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).