ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate

C15H15FN2O3 — CID 62059327

IUPACethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cc(Oc2ccc(C)nc2)c(F)cc1N
InChIInChI=1S/C15H15FN2O3/c1-3-20-15(19)11-6-14(12(16)7-13(11)17)21-10-5-4-9(2)18-8-10/h4-8H,3,17H2,1-2H3
InChIKeyPDFJIAMOERGUCQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.08
Rot. Bonds4

About ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate

ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate (PubChem CID 62059327) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
PubChem CID62059327
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Nameethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1cc(Oc2ccc(C)nc2)c(F)cc1N
InChIInChI=1S/C15H15FN2O3/c1-3-20-15(19)11-6-14(12(16)7-13(11)17)21-10-5-4-9(2)18-8-10/h4-8H,3,17H2,1-2H3
InChIKeyPDFJIAMOERGUCQ-UHFFFAOYSA-N
XLogP3.08
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate 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-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059326
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
ethyl 2-amino-5-(2,5-dimethylpyrazol-3-yl)oxy-4-fluorobenzoate
CID 81333635
ethyl 2-amino-5-(2,2-difluoroethoxy)-4-fluorobenzoate
CID 82006440
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
ethyl 2-amino-4-fluoro-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66277853
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
ethyl 2-(4-amino-3-fluorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180062
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
ethyl 2-amino-4-fluoro-5-(4-fluorophenyl)sulfanylbenzoate
CID 63423428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate (CID 62059327) is ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate is CCOC(=O)c1cc(Oc2ccc(C)nc2)c(F)cc1N.
What is the InChIKey of ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
The InChIKey is PDFJIAMOERGUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-3-20-15(19)11-6-14(12(16)7-13(11)17)21-10-5-4-9(2)18-8-10/h4-8H,3,17H2,1-2H3.
What are the key properties of ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate?
ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate has a molecular weight of 290.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 62059327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).