[6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol

C11H8ClFN2O — CID 22240129

IUPAC[6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol
SMILESOCc1cnnc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C11H8ClFN2O/c12-9-4-8(1-2-10(9)13)11-3-7(6-16)5-14-15-11/h1-5,16H,6H2
InChIKeyCUJASJRFMHIKFL-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.43
Rot. Bonds2

About [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol

[6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol (PubChem CID 22240129) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol.

Molecular Properties

Compound Name[6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol
PubChem CID22240129
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name[6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol
SMILESOCc1cnnc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C11H8ClFN2O/c12-9-4-8(1-2-10(9)13)11-3-7(6-16)5-14-15-11/h1-5,16H,6H2
InChIKeyCUJASJRFMHIKFL-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol?
The IUPAC name of [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol (CID 22240129) is [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol.
What is the SMILES notation for [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol?
The canonical SMILES for [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol is OCc1cnnc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol?
The InChIKey is CUJASJRFMHIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-9-4-8(1-2-10(9)13)11-3-7(6-16)5-14-15-11/h1-5,16H,6H2.
What are the key properties of [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol?
[6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol has a molecular weight of 238.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-fluorophenyl)pyridazin-4-yl]methanol is sourced from PubChem (CID 22240129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).