methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate

C14H13FN2O2 — CID 43684452

IUPACmethyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
SMILESCOC(=O)c1ccc(F)c(NCc2ccccn2)c1
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)10-5-6-12(15)13(8-10)17-9-11-4-2-3-7-16-11/h2-8,17H,9H2,1H3
InChIKeyKXYAIAOFPWDXTQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.62
Rot. Bonds4

About methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate

methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate (PubChem CID 43684452) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
PubChem CID43684452
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
SMILESCOC(=O)c1ccc(F)c(NCc2ccccn2)c1
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)10-5-6-12(15)13(8-10)17-9-11-4-2-3-7-16-11/h2-8,17H,9H2,1H3
InChIKeyKXYAIAOFPWDXTQ-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-fluoro-3-(pyridin-2-ylmethylamino)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 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
methyl 2-[4-fluoro-3-(pyridin-2-ylmethylamino)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
CID 67460418
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
4-methoxy-3-(pyridin-2-ylmethylamino)benzoate
CID 7201409
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
methyl 5-methyl-2-(pyridin-2-ylmethylamino)benzoate
CID 43679207
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
methyl 4-chloro-3-[[2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112873319
methyl 4-fluoro-3-[(2-hydroxy-3-methylphenyl)methylamino]benzoate
CID 115951164
methyl 4-chloro-3-[[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109235161
methyl 2-amino-3-(pyridin-2-ylmethylamino)benzoate
CID 115544524
methyl 3-[(2,5-dimethylphenyl)methylamino]-4-fluorobenzoate
CID 60728602

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate?
The IUPAC name of methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate (CID 43684452) is methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate.
What is the SMILES notation for methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate?
The canonical SMILES for methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate is COC(=O)c1ccc(F)c(NCc2ccccn2)c1.
What is the InChIKey of methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate?
The InChIKey is KXYAIAOFPWDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14(18)10-5-6-12(15)13(8-10)17-9-11-4-2-3-7-16-11/h2-8,17H,9H2,1H3.
What are the key properties of methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate?
methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate has a molecular weight of 260.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate is sourced from PubChem (CID 43684452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).