ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate

C17H14N2O3 — CID 134962892

IUPACethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3ccccc3)nn2)o1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-10-15(22-16)14-9-8-13(18-19-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJKNSVGKKSPPPFT-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.58
Rot. Bonds4

About ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate

ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate (PubChem CID 134962892) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate
PubChem CID134962892
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(-c3ccccc3)nn2)o1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-10-15(22-16)14-9-8-13(18-19-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyJKNSVGKKSPPPFT-UHFFFAOYSA-N
XLogP3.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate?
The IUPAC name of ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate (CID 134962892) is ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate.
What is the SMILES notation for ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate?
The canonical SMILES for ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate is CCOC(=O)c1ccc(-c2ccc(-c3ccccc3)nn2)o1.
What is the InChIKey of ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate?
The InChIKey is JKNSVGKKSPPPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-10-15(22-16)14-9-8-13(18-19-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate?
ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-phenylpyridazin-3-yl)furan-2-carboxylate is sourced from PubChem (CID 134962892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).