ethyl 5-phenylmethoxypyridazine-3-carboxylate

C14H14N2O3 — CID 137332806

IUPACethyl 5-phenylmethoxypyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cnn1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)13-8-12(9-15-16-13)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUUSDORDSDYDLJD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.23
Rot. Bonds5

About ethyl 5-phenylmethoxypyridazine-3-carboxylate

ethyl 5-phenylmethoxypyridazine-3-carboxylate (PubChem CID 137332806) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 5-phenylmethoxypyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylmethoxypyridazine-3-carboxylate
PubChem CID137332806
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 5-phenylmethoxypyridazine-3-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cnn1
InChIInChI=1S/C14H14N2O3/c1-2-18-14(17)13-8-12(9-15-16-13)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyUUSDORDSDYDLJD-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 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
ethyl 2-[[3,5-bis(phenylmethoxy)phenyl]methylamino]-1,3-thiazole-5-carboxylate
CID 163508236
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate
CID 67051161
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylmethoxypyridazine-3-carboxylate?
The IUPAC name of ethyl 5-phenylmethoxypyridazine-3-carboxylate (CID 137332806) is ethyl 5-phenylmethoxypyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-phenylmethoxypyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-phenylmethoxypyridazine-3-carboxylate is CCOC(=O)c1cc(OCc2ccccc2)cnn1.
What is the InChIKey of ethyl 5-phenylmethoxypyridazine-3-carboxylate?
The InChIKey is UUSDORDSDYDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-18-14(17)13-8-12(9-15-16-13)19-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 5-phenylmethoxypyridazine-3-carboxylate?
ethyl 5-phenylmethoxypyridazine-3-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-phenylmethoxypyridazine-3-carboxylate is sourced from PubChem (CID 137332806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).