(3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol

C11H8BrFN2O — CID 86730395

IUPAC(3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol
SMILESOC(c1cccnn1)c1cccc(Br)c1F
InChIInChI=1S/C11H8BrFN2O/c12-8-4-1-3-7(10(8)13)11(16)9-5-2-6-14-15-9/h1-6,11,16H
InChIKeyPOQQFJVLGUOWTH-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.46
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol

(3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol (PubChem CID 86730395) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol
PubChem CID86730395
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name(3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol
SMILESOC(c1cccnn1)c1cccc(Br)c1F
InChIInChI=1S/C11H8BrFN2O/c12-8-4-1-3-7(10(8)13)11(16)9-5-2-6-14-15-9/h1-6,11,16H
InChIKeyPOQQFJVLGUOWTH-UHFFFAOYSA-N
XLogP2.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol (CID 86730395) is (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol is OC(c1cccnn1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol?
The InChIKey is POQQFJVLGUOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-8-4-1-3-7(10(8)13)11(16)9-5-2-6-14-15-9/h1-6,11,16H.
What are the key properties of (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol?
(3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol has a molecular weight of 283.10 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-pyridazin-3-ylmethanol is sourced from PubChem (CID 86730395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).