(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol

C12H9BrClFN2O2 — CID 155673924

IUPAC(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)c(F)cc2Cl)nn1
InChIInChI=1S/C12H9BrClFN2O2/c1-19-11-3-2-10(16-17-11)12(18)6-4-7(13)9(15)5-8(6)14/h2-5,12,18H,1H3
InChIKeyFHMWQFOUTCHESR-UHFFFAOYSA-N
MW347.57 g/mol
LogP3.12
Rot. Bonds3

About (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol

(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol (PubChem CID 155673924) has the molecular formula C12H9BrClFN2O2 and a molecular weight of 347.57 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
PubChem CID155673924
Molecular FormulaC12H9BrClFN2O2
Molecular Weight347.57 g/mol
Exact Mass345.95
IUPAC Name(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)c(F)cc2Cl)nn1
InChIInChI=1S/C12H9BrClFN2O2/c1-19-11-3-2-10(16-17-11)12(18)6-4-7(13)9(15)5-8(6)14/h2-5,12,18H,1H3
InChIKeyFHMWQFOUTCHESR-UHFFFAOYSA-N
XLogP3.12
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-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

(3-Bromo-4-fluorophenyl)-(6-difluoromethoxypyridazin-3-yl)methanol
CID 117696688
2-Bromo-4-[6-[(2-chloro-4-fluorophenyl)methoxy]pyridazin-3-yl]phenol
CID 136330554
[4-Chloro-2-fluoro-5-[hydroxy-(6-methoxypyridazin-3-yl)methyl]phenyl]boronic acid
CID 140707720
[2-Chloro-5-(1,3,2-dioxaborolan-2-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol
CID 140707721
(2-Chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(6-methoxypyridazin-3-yl)methanol
CID 140803305
2-(5-Bromo-2-chloro-4-fluorophenyl)-2-(6-methoxypyridazin-3-yl)acetonitrile
CID 155673910
3-[1-(5-Bromo-2-chloro-4-fluorophenyl)cyclopropyl]-6-methoxypyridazine
CID 161612073
3-[1-(5-Bromo-2-chloro-4-fluorophenyl)ethenyl]-6-methoxypyridazine
CID 175085388
2-(2,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373403
2-(4-Chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373422
2-(3,5-Difluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373423
(5-Bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 103373427

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol (CID 155673924) is (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2cc(Br)c(F)cc2Cl)nn1.
What is the InChIKey of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is FHMWQFOUTCHESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2/c1-19-11-3-2-10(16-17-11)12(18)6-4-7(13)9(15)5-8(6)14/h2-5,12,18H,1H3.
What are the key properties of (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
(5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 347.57 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 155673924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).