2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride

C15H15ClN2O2 — CID 82447273

IUPAC2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
SMILESCC(C)Cn1nc(-c2ccccc2)cc(C(=O)Cl)c1=O
InChIInChI=1S/C15H15ClN2O2/c1-10(2)9-18-15(20)12(14(16)19)8-13(17-18)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyAWDYWVRYXCTBGG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride

2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride (PubChem CID 82447273) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
PubChem CID82447273
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
SMILESCC(C)Cn1nc(-c2ccccc2)cc(C(=O)Cl)c1=O
InChIInChI=1S/C15H15ClN2O2/c1-10(2)9-18-15(20)12(14(16)19)8-13(17-18)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyAWDYWVRYXCTBGG-UHFFFAOYSA-N
XLogP2.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.95
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

2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
CID 10061871
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620009
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
CID 82445374
methyl 6-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 12971765
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447397
6-(4-chlorophenyl)-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447368
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793
4-(chloromethyl)-2-(2-methylpropyl)-6-pyridin-2-ylpyridazin-3-one
CID 82447474

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride?
The IUPAC name of 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride (CID 82447273) is 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride.
What is the SMILES notation for 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride?
The canonical SMILES for 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride is CC(C)Cn1nc(-c2ccccc2)cc(C(=O)Cl)c1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride?
The InChIKey is AWDYWVRYXCTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(2)9-18-15(20)12(14(16)19)8-13(17-18)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride?
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride has a molecular weight of 290.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride is sourced from PubChem (CID 82447273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).