2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone

C12H8ClFN2O — CID 103042767

IUPAC2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1ccnnc1
InChIInChI=1S/C12H8ClFN2O/c13-10-5-8(1-2-11(10)14)6-12(17)9-3-4-15-16-7-9/h1-5,7H,6H2
InChIKeyBMTZLQZXPXFDGR-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone

2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone (PubChem CID 103042767) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone
PubChem CID103042767
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)c1ccnnc1
InChIInChI=1S/C12H8ClFN2O/c13-10-5-8(1-2-11(10)14)6-12(17)9-3-4-15-16-7-9/h1-5,7H,6H2
InChIKeyBMTZLQZXPXFDGR-UHFFFAOYSA-N
XLogP2.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl(pyridazin-4-yl)methanone
CID 12486783
(3,6-Dichloropyridazin-4-yl)(4-fluorophenyl)methanone
CID 14143072
3-Chloro-6-(3-chloro-4-fluoro-phenyl)-pyridazine-4-carboxylic acid amide
CID 9795859
1-[6-[3-(Trifluoromethyl)phenyl]pyridazin-4-yl]ethanone
CID 10849344
(2-Fluorophenyl)(pyridazin-4-yl)methanone
CID 14360456
2-(3-Chloro-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 103042769
3-Phenyl-4-pentafluorobenzoyl-6-chloro-pyridazine
CID 129704680
1-Phenyl-2-pyridazin-3-yl-ethanone
CID 12470857
(5-Methylpyridazin-4-yl)-phenylmethanone
CID 13409647
(3-Chloro-6-methylpyridazin-4-yl)-phenylmethanone
CID 86173615
Pyridazin-4-yl-[3-(trifluoromethyl)phenyl]methanone
CID 15264931
7-(5-Chloro-2-fluorophenyl)-4-methyl-5,6,7,8-tetrahydrocinnolin-5-one
CID 18317494

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone (CID 103042767) is 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone is O=C(Cc1ccc(F)c(Cl)c1)c1ccnnc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone?
The InChIKey is BMTZLQZXPXFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-10-5-8(1-2-11(10)14)6-12(17)9-3-4-15-16-7-9/h1-5,7H,6H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone?
2-(3-chloro-4-fluorophenyl)-1-pyridazin-4-ylethanone has a molecular weight of 250.66 g/mol, XLogP of 2.69, 3 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-pyridazin-4-ylethanone is sourced from PubChem (CID 103042767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).