2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride

C14H14ClN3O2 — CID 82447010

IUPAC2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride
SMILESCCCn1nc(-c2ccccn2)cc(CC(=O)Cl)c1=O
InChIInChI=1S/C14H14ClN3O2/c1-2-7-18-14(20)10(9-13(15)19)8-12(17-18)11-5-3-4-6-16-11/h3-6,8H,2,7,9H2,1H3
InChIKeyQTAGYNYDPIKWKM-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.02
Rot. Bonds5

About 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride

2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride (PubChem CID 82447010) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride
PubChem CID82447010
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride
SMILESCCCn1nc(-c2ccccn2)cc(CC(=O)Cl)c1=O
InChIInChI=1S/C14H14ClN3O2/c1-2-7-18-14(20)10(9-13(15)19)8-12(17-18)11-5-3-4-6-16-11/h3-6,8H,2,7,9H2,1H3
InChIKeyQTAGYNYDPIKWKM-UHFFFAOYSA-N
XLogP2.02
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.02
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

3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
CID 82445374
4-(chloromethyl)-2-(2-methylpropyl)-6-pyridin-2-ylpyridazin-3-one
CID 82447474
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
CID 174154263
2-octyl-6-pyridin-2-ylpyridazin-3-one
CID 70961886
N-(5-methyl-2-propylpyrazol-3-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 134703545
2-(5-propan-2-yl-3-pyridin-2-ylpyrazol-1-yl)ethanamine
CID 121211757
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
1-(cyanomethyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 121210717

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride?
The IUPAC name of 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride (CID 82447010) is 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride.
What is the SMILES notation for 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride?
The canonical SMILES for 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride is CCCn1nc(-c2ccccn2)cc(CC(=O)Cl)c1=O.
What is the InChIKey of 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride?
The InChIKey is QTAGYNYDPIKWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-7-18-14(20)10(9-13(15)19)8-12(17-18)11-5-3-4-6-16-11/h3-6,8H,2,7,9H2,1H3.
What are the key properties of 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride?
2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride has a molecular weight of 291.74 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-propyl-6-pyridin-2-ylpyridazin-4-yl)acetyl chloride is sourced from PubChem (CID 82447010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).