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

C7H5F3N2O2 — CID 53416466

IUPAC2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(C(F)(F)F)cn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-12-5(11)1-3(4)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChIKeyQEPCCDFNELZRFI-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.38
Rot. Bonds1

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

2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 53416466) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID53416466
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(C(F)(F)F)cn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-12-5(11)1-3(4)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChIKeyQEPCCDFNELZRFI-UHFFFAOYSA-N
XLogP1.38
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid (CID 53416466) is 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(C(F)(F)F)cn1.
What is the InChIKey of 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is QEPCCDFNELZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)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-(trifluoromethyl)pyridine-4-carboxylic acid?
2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 206.12 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 53416466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).