[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol

C11H7BrClFN2O2 — CID 114042755

IUPAC[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol
SMILESOCc1ccc(Oc2cc(F)c(Cl)cc2Br)nn1
InChIInChI=1S/C11H7BrClFN2O2/c12-7-3-8(13)9(14)4-10(7)18-11-2-1-6(5-17)15-16-11/h1-4,17H,5H2
InChIKeyRIKMEBHFNWKTDC-UHFFFAOYSA-N
MW333.54 g/mol
LogP3.32
Rot. Bonds3

About [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol

[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol (PubChem CID 114042755) has the molecular formula C11H7BrClFN2O2 and a molecular weight of 333.54 g/mol. Its IUPAC name is [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol
PubChem CID114042755
Molecular FormulaC11H7BrClFN2O2
Molecular Weight333.54 g/mol
Exact Mass331.94
IUPAC Name[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol
SMILESOCc1ccc(Oc2cc(F)c(Cl)cc2Br)nn1
InChIInChI=1S/C11H7BrClFN2O2/c12-7-3-8(13)9(14)4-10(7)18-11-2-1-6(5-17)15-16-11/h1-4,17H,5H2
InChIKeyRIKMEBHFNWKTDC-UHFFFAOYSA-N
XLogP3.32
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
[4-(2-bromo-4-chloro-5-fluorophenoxy)pyrimidin-5-yl]methanol
CID 114215368
[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methanol
CID 107725618
3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
CID 63877810
N-[[6-(4-bromo-2,5-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 107660793
[6-(2,4,5-trichlorophenoxy)pyridazin-3-yl]methanamine
CID 62297584
1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114068078
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
5-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730865
3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730869
3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-4-carboximidamide
CID 136730862

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol (CID 114042755) is [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol is OCc1ccc(Oc2cc(F)c(Cl)cc2Br)nn1.
What is the InChIKey of [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol?
The InChIKey is RIKMEBHFNWKTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O2/c12-7-3-8(13)9(14)4-10(7)18-11-2-1-6(5-17)15-16-11/h1-4,17H,5H2.
What are the key properties of [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol?
[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol has a molecular weight of 333.54 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 114042755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).