1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride

C12H7ClF2N2O2 — CID 82421548

IUPAC1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
SMILESCc1cc(=O)c(C(=O)Cl)nn1-c1ccc(F)cc1F
InChIInChI=1S/C12H7ClF2N2O2/c1-6-4-10(18)11(12(13)19)16-17(6)9-3-2-7(14)5-8(9)15/h2-5H,1H3
InChIKeyPJDDXFYGRGJNMY-UHFFFAOYSA-N
MW284.65 g/mol
LogP2.20
Rot. Bonds2

About 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride

1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride (PubChem CID 82421548) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
PubChem CID82421548
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
SMILESCc1cc(=O)c(C(=O)Cl)nn1-c1ccc(F)cc1F
InChIInChI=1S/C12H7ClF2N2O2/c1-6-4-10(18)11(12(13)19)16-17(6)9-3-2-7(14)5-8(9)15/h2-5H,1H3
InChIKeyPJDDXFYGRGJNMY-UHFFFAOYSA-N
XLogP2.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363464
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
1-(4-chloro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363545
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
1-(2,4-difluorophenyl)-5-methyl-N,N-bis(prop-2-ynyl)pyrazole-3-carboxamide
CID 75387472
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
1-(5-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43556030
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
The IUPAC name of 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride (CID 82421548) is 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride is Cc1cc(=O)c(C(=O)Cl)nn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
The InChIKey is PJDDXFYGRGJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c1-6-4-10(18)11(12(13)19)16-17(6)9-3-2-7(14)5-8(9)15/h2-5H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride?
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride has a molecular weight of 284.65 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride is sourced from PubChem (CID 82421548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).