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

C15H16ClFN2O — CID 105081232

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-3-14-11(7-9(2)18-19-14)15(20)8-10-12(16)5-4-6-13(10)17/h4-7,15,20H,3,8H2,1-2H3
InChIKeyLCXLQPJZMLRHHY-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.42
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (PubChem CID 105081232) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
PubChem CID105081232
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-3-14-11(7-9(2)18-19-14)15(20)8-10-12(16)5-4-6-13(10)17/h4-7,15,20H,3,8H2,1-2H3
InChIKeyLCXLQPJZMLRHHY-UHFFFAOYSA-N
XLogP3.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-methylphenyl)ethanol
CID 105077949
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125716
1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-4-ylethanol
CID 105108021
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105081261
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (CID 105081232) is 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The InChIKey is LCXLQPJZMLRHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-3-14-11(7-9(2)18-19-14)15(20)8-10-12(16)5-4-6-13(10)17/h4-7,15,20H,3,8H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol has a molecular weight of 294.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105081232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).