2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

C13H12ClFN2O2 — CID 103373422

IUPAC2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C13H12ClFN2O2/c1-19-13-5-4-11(16-17-13)12(18)6-8-2-3-9(14)7-10(8)15/h2-5,7,12,18H,6H2,1H3
InChIKeyKWTAHPUCTGSCEA-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373422) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373422
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C13H12ClFN2O2/c1-19-13-5-4-11(16-17-13)12(18)6-8-2-3-9(14)7-10(8)15/h2-5,7,12,18H,6H2,1H3
InChIKeyKWTAHPUCTGSCEA-UHFFFAOYSA-N
XLogP2.55
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-(4-methoxyphenyl)pyridazine
CID 12257501
(2S,3R,4R,5S,6R)-2-(6-chloro-5-(4-methoxybenzyl)pyridazin-3-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 49863594
3-Chloro-6-(3-methoxyphenyl)pyridazine
CID 12726812
(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
[2-Fluoro-5-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 56708792
3-Chloro-6-(3-fluoro-4-methoxyphenyl)pyridazine
CID 20398284
(3-Bromo-4-fluorophenyl)-(6-difluoromethoxypyridazin-3-yl)methanol
CID 117696688
[6-(Difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
CID 123305103
6-Chloro-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyridazine
CID 134543299
[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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373422) is 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2ccc(Cl)cc2F)nn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is KWTAHPUCTGSCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-19-13-5-4-11(16-17-13)12(18)6-8-2-3-9(14)7-10(8)15/h2-5,7,12,18H,6H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol has a molecular weight of 282.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).