methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C14H11F3N2O2 — CID 134635594

IUPACmethyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c1-21-13(20)8-6-10(12(18)19-7-8)9-4-2-3-5-11(9)14(15,16)17/h2-7H,1H3,(H2,18,19)
InChIKeyOZHWTEBSPQDGJQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.14
Rot. Bonds2

About methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate

methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 134635594) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID134635594
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Namemethyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c1-21-13(20)8-6-10(12(18)19-7-8)9-4-2-3-5-11(9)14(15,16)17/h2-7H,1H3,(H2,18,19)
InChIKeyOZHWTEBSPQDGJQ-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 6-amino-5-[2-(trifluoromethyl)phenyl]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

methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
CID 133086893
methyl 3-chloro-4-[2-(trifluoromethyl)phenyl]benzoate
CID 66718347
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate
CID 11164163
methyl 3-phenyl-4-(trifluoromethyl)benzoate
CID 11044155
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
methyl 3-amino-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43155499
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 7-methyl-8-[2-(trifluoromethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 118525838

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 134635594) is methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is OZHWTEBSPQDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-13(20)8-6-10(12(18)19-7-8)9-4-2-3-5-11(9)14(15,16)17/h2-7H,1H3,(H2,18,19).
What are the key properties of methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-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 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 134635594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).