6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol

C15H8Cl2F2N2O2 — CID 178182129

IUPAC6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol
SMILESOc1c(Cl)ccc(-c2cc(-c3ccc(Cl)c(O)c3F)[nH]n2)c1F
InChIInChI=1S/C15H8Cl2F2N2O2/c16-8-3-1-6(12(18)14(8)22)10-5-11(21-20-10)7-2-4-9(17)15(23)13(7)19/h1-5,22-23H,(H,20,21)
InChIKeyULKRXWIYYFHJKW-UHFFFAOYSA-N
MW357.14 g/mol
LogP4.74
Rot. Bonds2

About 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol

6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol (PubChem CID 178182129) has the molecular formula C15H8Cl2F2N2O2 and a molecular weight of 357.14 g/mol. Its IUPAC name is 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol.

Molecular Properties

Compound Name6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol
PubChem CID178182129
Molecular FormulaC15H8Cl2F2N2O2
Molecular Weight357.14 g/mol
Exact Mass355.99
IUPAC Name6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol
SMILESOc1c(Cl)ccc(-c2cc(-c3ccc(Cl)c(O)c3F)[nH]n2)c1F
InChIInChI=1S/C15H8Cl2F2N2O2/c16-8-3-1-6(12(18)14(8)22)10-5-11(21-20-10)7-2-4-9(17)15(23)13(7)19/h1-5,22-23H,(H,20,21)
InChIKeyULKRXWIYYFHJKW-UHFFFAOYSA-N
XLogP4.74
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 781212
4-chloro-2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 685418
4-chloro-2-(5-(2-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 936511
4-chloro-2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol
CID 776018
5-[chloro(difluoro)methyl]-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1H-pyrazole
CID 57281095
6-chloro-2-fluoro-3-(2H-indazol-3-ylmethyl)phenol
CID 59299251
6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 59299264
6-chloro-3-(4-fluorophenyl)-1H-indazol-5-ol
CID 69166333
4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 136445097
2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol
CID 137031960
3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]phenol
CID 137417106

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol?
The IUPAC name of 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol (CID 178182129) is 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol.
What is the SMILES notation for 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol?
The canonical SMILES for 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol is Oc1c(Cl)ccc(-c2cc(-c3ccc(Cl)c(O)c3F)[nH]n2)c1F.
What is the InChIKey of 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol?
The InChIKey is ULKRXWIYYFHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2O2/c16-8-3-1-6(12(18)14(8)22)10-5-11(21-20-10)7-2-4-9(17)15(23)13(7)19/h1-5,22-23H,(H,20,21).
What are the key properties of 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol?
6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol has a molecular weight of 357.14 g/mol, XLogP of 4.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol is sourced from PubChem (CID 178182129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).