ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate

C16H17ClN2O3 — CID 100785399

IUPACethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
SMILESCCCn1nc(-c2ccccc2Cl)cc(C(=O)OCC)c1=O
InChIInChI=1S/C16H17ClN2O3/c1-3-9-19-15(20)12(16(21)22-4-2)10-14(18-19)11-7-5-6-8-13(11)17/h5-8,10H,3-4,9H2,1-2H3
InChIKeyLYKRECYRRYYKPQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.15
Rot. Bonds5

About ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate

ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate (PubChem CID 100785399) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
PubChem CID100785399
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nameethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
SMILESCCCn1nc(-c2ccccc2Cl)cc(C(=O)OCC)c1=O
InChIInChI=1S/C16H17ClN2O3/c1-3-9-19-15(20)12(16(21)22-4-2)10-14(18-19)11-7-5-6-8-13(11)17/h5-8,10H,3-4,9H2,1-2H3
InChIKeyLYKRECYRRYYKPQ-UHFFFAOYSA-N
XLogP3.15
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-butyl-6-(2-chlorophenyl)-3-oxopyridazine-4-carboxylate
CID 100785403
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785102
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
ethyl 2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785113
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273
ethyl 2-[[3-(2-chlorophenyl)-1-methylpyrazol-5-yl]amino]-3-methylbutanoate
CID 134116957
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate?
The IUPAC name of ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate (CID 100785399) is ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate is CCCn1nc(-c2ccccc2Cl)cc(C(=O)OCC)c1=O.
What is the InChIKey of ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate?
The InChIKey is LYKRECYRRYYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-9-19-15(20)12(16(21)22-4-2)10-14(18-19)11-7-5-6-8-13(11)17/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate?
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate has a molecular weight of 320.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate is sourced from PubChem (CID 100785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).