2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

C13H12ClFN2O2 — CID 103373520

IUPAC2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(Cl)ccc2F)nn1
InChIInChI=1S/C13H12ClFN2O2/c1-19-13-5-4-11(16-17-13)12(18)7-8-6-9(14)2-3-10(8)15/h2-6,12,18H,7H2,1H3
InChIKeyDPJXMRZLCDFUSW-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.55
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (PubChem CID 103373520) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
PubChem CID103373520
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cc(Cl)ccc2F)nn1
InChIInChI=1S/C13H12ClFN2O2/c1-19-13-5-4-11(16-17-13)12(18)7-8-6-9(14)2-3-10(8)15/h2-6,12,18H,7H2,1H3
InChIKeyDPJXMRZLCDFUSW-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

[2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]hydrazine
CID 103375753
2-(2-chloro-5-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373694
2-(3-chloro-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373442
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(2-chloro-6-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373444
2-(2,3-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 107308299
2-(2-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373525
2-(2,6-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373585
2-(5-chloro-2-fluorophenyl)-1-(thiadiazol-4-yl)ethanol
CID 103053464
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
(2,4-dichlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 166178487
2-(3,4-dimethylphenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373598

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol (CID 103373520) is 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is COc1ccc(C(O)Cc2cc(Cl)ccc2F)nn1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
The InChIKey is DPJXMRZLCDFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-19-13-5-4-11(16-17-13)12(18)7-8-6-9(14)2-3-10(8)15/h2-6,12,18H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol?
2-(5-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-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol is sourced from PubChem (CID 103373520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).