2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

C15H16ClFN2O — CID 102623164

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-3-14-12(6-9(2)18-19-14)15(20)8-10-7-11(17)4-5-13(10)16/h4-7,15,20H,3,8H2,1-2H3
InChIKeyFVLPVJAVJOWPGC-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (PubChem CID 102623164) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
PubChem CID102623164
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-3-14-12(6-9(2)18-19-14)15(20)8-10-7-11(17)4-5-13(10)16/h4-7,15,20H,3,8H2,1-2H3
InChIKeyFVLPVJAVJOWPGC-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (CID 102623164) is 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The InChIKey is FVLPVJAVJOWPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-3-14-12(6-9(2)18-19-14)15(20)8-10-7-11(17)4-5-13(10)16/h4-7,15,20H,3,8H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
2-(2-chloro-5-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-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is sourced from PubChem (CID 102623164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).