3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol

C14H7BrF4N2O — CID 163234616

IUPAC3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2n[nH]c3cc(Br)ccc23)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H7BrF4N2O/c15-6-1-2-8-11(3-6)20-21-13(8)9-4-7(22)5-10(12(9)16)14(17,18)19/h1-5,22H,(H,20,21)
InChIKeyJYAJTUHUNHABED-UHFFFAOYSA-N
MW375.12 g/mol
LogP4.86
Rot. Bonds1

About 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol

3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol (PubChem CID 163234616) has the molecular formula C14H7BrF4N2O and a molecular weight of 375.12 g/mol. Its IUPAC name is 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol
PubChem CID163234616
Molecular FormulaC14H7BrF4N2O
Molecular Weight375.12 g/mol
Exact Mass373.97
IUPAC Name3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2n[nH]c3cc(Br)ccc23)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H7BrF4N2O/c15-6-1-2-8-11(3-6)20-21-13(8)9-4-7(22)5-10(12(9)16)14(17,18)19/h1-5,22H,(H,20,21)
InChIKeyJYAJTUHUNHABED-UHFFFAOYSA-N
XLogP4.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol (CID 163234616) is 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol is Oc1cc(-c2n[nH]c3cc(Br)ccc23)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol?
The InChIKey is JYAJTUHUNHABED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4N2O/c15-6-1-2-8-11(3-6)20-21-13(8)9-4-7(22)5-10(12(9)16)14(17,18)19/h1-5,22H,(H,20,21).
What are the key properties of 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol?
3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol has a molecular weight of 375.12 g/mol, XLogP of 4.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1H-indazol-3-yl)-4-fluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163234616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).