2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride

C12H10ClN3O2 — CID 82445374

IUPAC2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
SMILESCCn1nc(-c2ccccn2)cc(C(=O)Cl)c1=O
InChIInChI=1S/C12H10ClN3O2/c1-2-16-12(18)8(11(13)17)7-10(15-16)9-5-3-4-6-14-9/h3-7H,2H2,1H3
InChIKeyLHWVXPRLBFLUNN-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.70
Rot. Bonds3

About 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride

2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride (PubChem CID 82445374) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride.

Molecular Properties

Compound Name2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
PubChem CID82445374
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
SMILESCCn1nc(-c2ccccn2)cc(C(=O)Cl)c1=O
InChIInChI=1S/C12H10ClN3O2/c1-2-16-12(18)8(11(13)17)7-10(15-16)9-5-3-4-6-14-9/h3-7H,2H2,1H3
InChIKeyLHWVXPRLBFLUNN-UHFFFAOYSA-N
XLogP1.70
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride
CID 82447010
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
CID 174154263
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70545373
4-(chloromethyl)-2-(2-methylpropyl)-6-pyridin-2-ylpyridazin-3-one
CID 82447474
2-octyl-6-pyridin-2-ylpyridazin-3-one
CID 70961886
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
CID 121211744
2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
CID 87501484
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride?
The IUPAC name of 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride (CID 82445374) is 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride.
What is the SMILES notation for 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride?
The canonical SMILES for 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride is CCn1nc(-c2ccccn2)cc(C(=O)Cl)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride?
The InChIKey is LHWVXPRLBFLUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-2-16-12(18)8(11(13)17)7-10(15-16)9-5-3-4-6-14-9/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride?
2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride has a molecular weight of 263.68 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride is sourced from PubChem (CID 82445374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).