3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

C8H7F3N2O3 — CID 58442320

IUPAC3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c1-16-6-3(8(9,10)11)2-4(12)5(13-6)7(14)15/h2H,12H2,1H3,(H,14,15)
InChIKeyUMUCVQPUKHGIIH-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.39
Rot. Bonds2

About 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 58442320) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID58442320
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c1-16-6-3(8(9,10)11)2-4(12)5(13-6)7(14)15/h2H,12H2,1H3,(H,14,15)
InChIKeyUMUCVQPUKHGIIH-UHFFFAOYSA-N
XLogP1.39
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Icenticaftor
CID 58442344
3-amino-6-ethoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 58442302
US10117858, Example 4
CID 53472387
3-Amino-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxy-propyl)-amide
CID 58442360
6-Methoxy-5-(trifluoromethyl)picolinic acid
CID 73554371
3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166635566
Methyl 3-amino-6-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 178314071
3-Bromo-6-methoxy-5-(trifluoromethyl)picolinic acid
CID 135153375
US20240058315, Example 6
CID 58442306
3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53472231
3-(2,5-Dimethyl-pyrrol-1-yl)-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid
CID 58442313
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-6-ethoxy-5-(trifluoromethyl)picolinic acid
CID 58442329

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 58442320) is 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is COc1nc(C(=O)O)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is UMUCVQPUKHGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-16-6-3(8(9,10)11)2-4(12)5(13-6)7(14)15/h2H,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 58442320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).