ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate

C14H14N2O3 — CID 121205212

IUPACethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cnnc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C14H14N2O3/c1-3-19-14(17)11-8-13(16-15-9-11)10-4-6-12(18-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyINNJAPXWJNRTEQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds4

About ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate

ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate (PubChem CID 121205212) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
PubChem CID121205212
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cnnc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C14H14N2O3/c1-3-19-14(17)11-8-13(16-15-9-11)10-4-6-12(18-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyINNJAPXWJNRTEQ-UHFFFAOYSA-N
XLogP2.33
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
5-bromo-3-(4-methoxyphenyl)pyridazine
CID 117107154
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
ethyl 4-[[3-[(4-methoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112951285
2,3-diethylbutanedioic acid;ethyl 4-methoxybenzoate
CID 175299226
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate?
The IUPAC name of ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate (CID 121205212) is ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate is CCOC(=O)c1cnnc(-c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate?
The InChIKey is INNJAPXWJNRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-14(17)11-8-13(16-15-9-11)10-4-6-12(18-2)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate?
ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxyphenyl)pyridazine-4-carboxylate is sourced from PubChem (CID 121205212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).