6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol

C12H8BrFN4O — CID 59299263

IUPAC6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol
SMILESOc1c(Br)ccc(Cc2n[nH]c3nnccc23)c1F
InChIInChI=1S/C12H8BrFN4O/c13-8-2-1-6(10(14)11(8)19)5-9-7-3-4-15-17-12(7)18-16-9/h1-4,19H,5H2,(H,16,17,18)
InChIKeyGFJBXEOFWYUFMB-UHFFFAOYSA-N
MW323.13 g/mol
LogP2.55
Rot. Bonds2

About 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol

6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol (PubChem CID 59299263) has the molecular formula C12H8BrFN4O and a molecular weight of 323.13 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol
PubChem CID59299263
Molecular FormulaC12H8BrFN4O
Molecular Weight323.13 g/mol
Exact Mass321.99
IUPAC Name6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol
SMILESOc1c(Br)ccc(Cc2n[nH]c3nnccc23)c1F
InChIInChI=1S/C12H8BrFN4O/c13-8-2-1-6(10(14)11(8)19)5-9-7-3-4-15-17-12(7)18-16-9/h1-4,19H,5H2,(H,16,17,18)
InChIKeyGFJBXEOFWYUFMB-UHFFFAOYSA-N
XLogP2.55
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol?
The IUPAC name of 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol (CID 59299263) is 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol.
What is the SMILES notation for 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol?
The canonical SMILES for 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol is Oc1c(Br)ccc(Cc2n[nH]c3nnccc23)c1F.
What is the InChIKey of 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol?
The InChIKey is GFJBXEOFWYUFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4O/c13-8-2-1-6(10(14)11(8)19)5-9-7-3-4-15-17-12(7)18-16-9/h1-4,19H,5H2,(H,16,17,18).
What are the key properties of 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol?
6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol has a molecular weight of 323.13 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol is sourced from PubChem (CID 59299263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).