ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate

C15H16N2O3 — CID 163789678

IUPACethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate
SMILESCCOC(=O)c1ccc(OC)c(-c2cccnn2)c1C
InChIInChI=1S/C15H16N2O3/c1-4-20-15(18)11-7-8-13(19-3)14(10(11)2)12-6-5-9-16-17-12/h5-9H,4H2,1-3H3
InChIKeyMVOSIQYQQACZQB-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.64
Rot. Bonds4

About ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate

ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate (PubChem CID 163789678) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate
PubChem CID163789678
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate
SMILESCCOC(=O)c1ccc(OC)c(-c2cccnn2)c1C
InChIInChI=1S/C15H16N2O3/c1-4-20-15(18)11-7-8-13(19-3)14(10(11)2)12-6-5-9-16-17-12/h5-9H,4H2,1-3H3
InChIKeyMVOSIQYQQACZQB-UHFFFAOYSA-N
XLogP2.64
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 2-chloro-4-methoxy-3-methylbenzoate
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CID 91876131
ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate
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ethyl 3-iodopyridazine-4-carboxylate
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ethyl 2-amino-3-fluoro-4-methoxybenzoate
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ethyl 3-amino-2-chloro-4-methoxybenzoate
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ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
ethyl 2-methoxy-4-phenylmethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate?
The IUPAC name of ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate (CID 163789678) is ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate.
What is the SMILES notation for ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate?
The canonical SMILES for ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate is CCOC(=O)c1ccc(OC)c(-c2cccnn2)c1C.
What is the InChIKey of ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate?
The InChIKey is MVOSIQYQQACZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-20-15(18)11-7-8-13(19-3)14(10(11)2)12-6-5-9-16-17-12/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate?
ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate has a molecular weight of 272.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate is sourced from PubChem (CID 163789678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).