methyl 2-ethyl-6-phenoxypyridine-3-carboxylate

C15H15NO3 — CID 134204658

IUPACmethyl 2-ethyl-6-phenoxypyridine-3-carboxylate
SMILESCCc1nc(Oc2ccccc2)ccc1C(=O)OC
InChIInChI=1S/C15H15NO3/c1-3-13-12(15(17)18-2)9-10-14(16-13)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyMZNWTNDBRLVSGA-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-ethyl-6-phenoxypyridine-3-carboxylate

methyl 2-ethyl-6-phenoxypyridine-3-carboxylate (PubChem CID 134204658) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-ethyl-6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-phenoxypyridine-3-carboxylate
PubChem CID134204658
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-ethyl-6-phenoxypyridine-3-carboxylate
SMILESCCc1nc(Oc2ccccc2)ccc1C(=O)OC
InChIInChI=1S/C15H15NO3/c1-3-13-12(15(17)18-2)9-10-14(16-13)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKeyMZNWTNDBRLVSGA-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-6-phenoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
6-(3-cyanophenoxy)-2-ethylpyridine-3-carboxylic acid
CID 134204717
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
2-ethyl-6-phenoxypyridine
CID 19828151
methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate
CID 137285329
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
methyl 5-methyl-1-(2-methyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylate
CID 850465
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2,3-diethyl-5-methylpyrazine;methyl 2-hydroxybenzoate
CID 162249956
methyl 2-ethenyl-4-phenoxybenzoate
CID 154641334

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-phenoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-ethyl-6-phenoxypyridine-3-carboxylate (CID 134204658) is methyl 2-ethyl-6-phenoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-phenoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-phenoxypyridine-3-carboxylate is CCc1nc(Oc2ccccc2)ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-6-phenoxypyridine-3-carboxylate?
The InChIKey is MZNWTNDBRLVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-13-12(15(17)18-2)9-10-14(16-13)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3.
What are the key properties of methyl 2-ethyl-6-phenoxypyridine-3-carboxylate?
methyl 2-ethyl-6-phenoxypyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 134204658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).