2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid

C7H5F3N2O3 — CID 118997560

IUPAC2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(OC(F)(F)F)cn1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-2-12-5(11)1-3(4)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChIKeyFRWQDAUCZDDETD-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.26
Rot. Bonds2

About 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid

2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 118997560) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID118997560
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(OC(F)(F)F)cn1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-2-12-5(11)1-3(4)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChIKeyFRWQDAUCZDDETD-UHFFFAOYSA-N
XLogP1.26
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(trifluoromethoxy)pyridine-4-carboxamide
CID 119006501
2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 53416466
2-amino-5-(difluoromethoxy)pyridine-4-carboxylic acid;nitrous acid
CID 175491653
4-amino-2-bromo-5-(trifluoromethoxy)benzoic acid
CID 118829327
2-amino-5-cyclobutyloxypyridine-4-carboxylic acid
CID 130479587
2-amino-5-bromo-3-(trifluoromethoxy)benzoic acid
CID 131364248
2-amino-5-(3,4-difluorophenoxy)pyridine-4-carboxylic acid
CID 114195658
4-(fluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119016507
4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119006704
2-amino-5-(3-bromo-4-fluorophenoxy)pyridine-4-carboxylic acid
CID 114195711
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
2-amino-5-(2-ethylphenoxy)pyridine-4-carboxylic acid
CID 114195655

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 118997560) is 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(OC(F)(F)F)cn1.
What is the InChIKey of 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is FRWQDAUCZDDETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-2-12-5(11)1-3(4)6(13)14/h1-2H,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 118997560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).