ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate

C14H14N2O3 — CID 15212302

IUPACethyl 5-(phenoxymethyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cnncc1COc1ccccc1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)13-9-16-15-8-11(13)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyVHOUYFOITICJFE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.23
Rot. Bonds5

About ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate

ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate (PubChem CID 15212302) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(phenoxymethyl)pyridazine-4-carboxylate
PubChem CID15212302
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 5-(phenoxymethyl)pyridazine-4-carboxylate
SMILESCCOC(=O)c1cnncc1COc1ccccc1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)13-9-16-15-8-11(13)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyVHOUYFOITICJFE-UHFFFAOYSA-N
XLogP2.23
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(phenoxymethyl)benzoate
CID 14674220
ethyl 5-(bromomethyl)pyridazine-4-carboxylate
CID 171935367
ethyl 1-methyl-5-(phenoxymethyl)-1,2,4-triazole-3-carboxylate
CID 55218772
ethyl 4-bromo-2-(phenoxymethyl)thieno[3,2-c]pyridine-7-carboxylate
CID 142693830
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
ethyl 4-amino-3-[(3-phenoxyphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 162100170
ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate
CID 116629743
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
acetic acid;ethyl 2-ethylbenzoate
CID 162337312

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate?
The IUPAC name of ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate (CID 15212302) is ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate?
The canonical SMILES for ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate is CCOC(=O)c1cnncc1COc1ccccc1.
What is the InChIKey of ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate?
The InChIKey is VHOUYFOITICJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-18-14(17)13-9-16-15-8-11(13)10-19-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate?
ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate is sourced from PubChem (CID 15212302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).