ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate

C14H14N2O3 — CID 24776310

IUPACethyl 5-methoxy-6-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)c(-c2ccccc2)nn1
InChIInChI=1S/C14H14N2O3/c1-3-19-14(17)11-9-12(18-2)13(16-15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyLVBBCKIRTZQFJP-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds4

About ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate

ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate (PubChem CID 24776310) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-6-phenylpyridazine-3-carboxylate
PubChem CID24776310
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 5-methoxy-6-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(OC)c(-c2ccccc2)nn1
InChIInChI=1S/C14H14N2O3/c1-3-19-14(17)11-9-12(18-2)13(16-15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyLVBBCKIRTZQFJP-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate?
The IUPAC name of ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate (CID 24776310) is ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate is CCOC(=O)c1cc(OC)c(-c2ccccc2)nn1.
What is the InChIKey of ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate?
The InChIKey is LVBBCKIRTZQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-14(17)11-9-12(18-2)13(16-15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-methoxy-6-phenylpyridazine-3-carboxylate?
ethyl 5-methoxy-6-phenylpyridazine-3-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 5-methoxy-6-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 24776310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).