2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid

C8H5F5N2O3 — CID 119013647

IUPAC2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNc1nc(OC(F)(F)F)cc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H5F5N2O3/c9-5(10)4-2(7(16)17)1-3(15-6(4)14)18-8(11,12)13/h1,5H,(H2,14,15)(H,16,17)
InChIKeyXTRSZECCFLRXBY-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid

2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 119013647) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID119013647
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNc1nc(OC(F)(F)F)cc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H5F5N2O3/c9-5(10)4-2(7(16)17)1-3(15-6(4)14)18-8(11,12)13/h1,5H,(H2,14,15)(H,16,17)
InChIKeyXTRSZECCFLRXBY-UHFFFAOYSA-N
XLogP2.20
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid 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

3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
3-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665192
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130112262
2-fluoro-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134664924
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134677673
2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118815703
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 119013647) is 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid is Nc1nc(OC(F)(F)F)cc(C(=O)O)c1C(F)F.
What is the InChIKey of 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is XTRSZECCFLRXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c9-5(10)4-2(7(16)17)1-3(15-6(4)14)18-8(11,12)13/h1,5H,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid?
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 272.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 119013647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).