methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate

C14H11F3N2O2 — CID 134635397

IUPACmethyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ncc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-13(20)10-6-12(19-7-11(10)18)8-3-2-4-9(5-8)14(15,16)17/h2-7H,18H2,1H3
InChIKeyQZGACTWAXGVUOP-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.14
Rot. Bonds2

About methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate

methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate (PubChem CID 134635397) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
PubChem CID134635397
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Namemethyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ncc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-13(20)10-6-12(19-7-11(10)18)8-3-2-4-9(5-8)14(15,16)17/h2-7H,18H2,1H3
InChIKeyQZGACTWAXGVUOP-UHFFFAOYSA-N
XLogP3.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-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-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134634074
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
methyl 6-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 151693176
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate (CID 134635397) is methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate is COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ncc1N.
What is the InChIKey of methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
The InChIKey is QZGACTWAXGVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-13(20)10-6-12(19-7-11(10)18)8-3-2-4-9(5-8)14(15,16)17/h2-7H,18H2,1H3.
What are the key properties of methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate?
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate has a molecular weight of 296.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate is sourced from PubChem (CID 134635397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).