ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate

C16H14F4N2O2 — CID 60505506

IUPACethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C16H14F4N2O2/c1-2-24-15(23)11-4-6-14(22-9-11)21-8-10-3-5-12(17)7-13(10)16(18,19)20/h3-7,9H,2,8H2,1H3,(H,21,22)
InChIKeyITAMJBDTZIIDAD-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.03
Rot. Bonds5

About ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate

ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate (PubChem CID 60505506) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
PubChem CID60505506
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Nameethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C16H14F4N2O2/c1-2-24-15(23)11-4-6-14(22-9-11)21-8-10-3-5-12(17)7-13(10)16(18,19)20/h3-7,9H,2,8H2,1H3,(H,21,22)
InChIKeyITAMJBDTZIIDAD-UHFFFAOYSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-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

ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79530640
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
2-[6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268895
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate (CID 60505506) is ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ccc(F)cc2C(F)(F)F)nc1.
What is the InChIKey of ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate?
The InChIKey is ITAMJBDTZIIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-2-24-15(23)11-4-6-14(22-9-11)21-8-10-3-5-12(17)7-13(10)16(18,19)20/h3-7,9H,2,8H2,1H3,(H,21,22).
What are the key properties of ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate?
ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate has a molecular weight of 342.29 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 60505506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).