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

C14H14ClFN2O — CID 102867563

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2cccc(Cl)c2F)c(C)nn1
InChIInChI=1S/C14H14ClFN2O/c1-8-6-11(9(2)18-17-8)13(19)7-10-4-3-5-12(15)14(10)16/h3-6,13,19H,7H2,1-2H3
InChIKeyOCKYOJULGSOMDD-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.16
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (PubChem CID 102867563) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
PubChem CID102867563
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2cccc(Cl)c2F)c(C)nn1
InChIInChI=1S/C14H14ClFN2O/c1-8-6-11(9(2)18-17-8)13(19)7-10-4-3-5-12(15)14(10)16/h3-6,13,19H,7H2,1-2H3
InChIKeyOCKYOJULGSOMDD-UHFFFAOYSA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (CID 102867563) is 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is Cc1cc(C(O)Cc2cccc(Cl)c2F)c(C)nn1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The InChIKey is OCKYOJULGSOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8-6-11(9(2)18-17-8)13(19)7-10-4-3-5-12(15)14(10)16/h3-6,13,19H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol has a molecular weight of 280.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is sourced from PubChem (CID 102867563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).