4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid

C8H5F3N2O4 — CID 67931571

IUPAC4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
SMILESNc1c(C(=O)O)cnc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)5-3(7(16)17)4(12)2(1-13-5)6(14)15/h1H,(H2,12,13)(H,14,15)(H,16,17)
InChIKeyNLOCUYDKFRFDIG-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.08
Rot. Bonds2

About 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid

4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid (PubChem CID 67931571) has the molecular formula C8H5F3N2O4 and a molecular weight of 250.13 g/mol. Its IUPAC name is 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
PubChem CID67931571
Molecular FormulaC8H5F3N2O4
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
SMILESNc1c(C(=O)O)cnc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H5F3N2O4/c9-8(10,11)5-3(7(16)17)4(12)2(1-13-5)6(14)15/h1H,(H2,12,13)(H,14,15)(H,16,17)
InChIKeyNLOCUYDKFRFDIG-UHFFFAOYSA-N
XLogP1.08
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The IUPAC name of 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid (CID 67931571) is 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid is Nc1c(C(=O)O)cnc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The InChIKey is NLOCUYDKFRFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O4/c9-8(10,11)5-3(7(16)17)4(12)2(1-13-5)6(14)15/h1H,(H2,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid has a molecular weight of 250.13 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 67931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).