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

C15H14ClFN2O — CID 103042769

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
SMILESCCc1nnc(C)cc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-3-14-11(6-9(2)18-19-14)15(20)8-10-4-5-13(17)12(16)7-10/h4-7H,3,8H2,1-2H3
InChIKeyOYCCRZDHVBUULW-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.57
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone (PubChem CID 103042769) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
PubChem CID103042769
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
SMILESCCc1nnc(C)cc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-3-14-11(6-9(2)18-19-14)15(20)8-10-4-5-13(17)12(16)7-10/h4-7H,3,8H2,1-2H3
InChIKeyOYCCRZDHVBUULW-UHFFFAOYSA-N
XLogP3.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2767331
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CID 6410617
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CID 14143072
CID 14143072
CID 9795859
CID 9795859
CID 12085099
CID 12085099
CID 254395
CID 254395
CID 44264306
CID 44264306
CID 12085104
CID 12085104
CID 14450230
CID 14450230
CID 103042767
CID 103042767
CID 129704680
CID 129704680
CID 71741630
CID 71741630

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone (CID 103042769) is 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone is CCc1nnc(C)cc1C(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
The InChIKey is OYCCRZDHVBUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-3-14-11(6-9(2)18-19-14)15(20)8-10-4-5-13(17)12(16)7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone has a molecular weight of 292.74 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone is sourced from PubChem (CID 103042769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).