methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate

C15H15FN2O2 — CID 164541972

IUPACmethyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(-c2cc(C)c(F)cn2)cc1N
InChIInChI=1S/C15H15FN2O2/c1-8-4-11(15(19)20-3)13(17)6-10(8)14-5-9(2)12(16)7-18-14/h4-7H,17H2,1-3H3
InChIKeyAGMXEYNTBXSXMZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.87
Rot. Bonds2

About methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate

methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate (PubChem CID 164541972) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate
PubChem CID164541972
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)c(-c2cc(C)c(F)cn2)cc1N
InChIInChI=1S/C15H15FN2O2/c1-8-4-11(15(19)20-3)13(17)6-10(8)14-5-9(2)12(16)7-18-14/h4-7H,17H2,1-3H3
InChIKeyAGMXEYNTBXSXMZ-UHFFFAOYSA-N
XLogP2.87
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate 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-(3-chloro-4-fluorophenyl)-5-methylbenzoate
CID 164541567
methyl 6-(5-bromo-2-fluoro-3-pyridinyl)-4-methylpyridine-3-carboxylate
CID 154848544
methyl 3-amino-5-(5-amino-2-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylate
CID 154951895
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methane;methanol;methyl 2-amino-4-fluoro-5-methylbenzoate;methyl 4-fluoro-5-methyl-2-nitrobenzoate
CID 159064098
methyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059326
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
methyl 2-amino-5-chloro-4-(2,4,6-trifluorophenyl)benzoate
CID 156507011
methyl 2-(2,3-dichlorophenyl)-5-fluoropyridine-4-carboxylate
CID 133090729
methyl 2-amino-5-(4,5-dicyanoimidazol-1-yl)-4-fluorobenzoate
CID 115944890

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate?
The IUPAC name of methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate (CID 164541972) is methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate.
What is the SMILES notation for methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate?
The canonical SMILES for methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate is COC(=O)c1cc(C)c(-c2cc(C)c(F)cn2)cc1N.
What is the InChIKey of methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate?
The InChIKey is AGMXEYNTBXSXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-8-4-11(15(19)20-3)13(17)6-10(8)14-5-9(2)12(16)7-18-14/h4-7H,17H2,1-3H3.
What are the key properties of methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate?
methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate has a molecular weight of 274.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(5-fluoro-4-methyl-2-pyridinyl)-5-methylbenzoate is sourced from PubChem (CID 164541972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).