2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C8H7F3N2O2 — CID 79876961

IUPAC2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C8H7F3N2O2/c1-12-6-4(7(14)15)2-3-5(13-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyHXILAFARQDOBNL-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.84
Rot. Bonds2

About 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876961) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876961
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C8H7F3N2O2/c1-12-6-4(7(14)15)2-3-5(13-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyHXILAFARQDOBNL-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876961) is 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CNc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is HXILAFARQDOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-12-6-4(7(14)15)2-3-5(13-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).