5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid

C9H8BrF3N2O2 — CID 62000949

IUPAC5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
SMILESCN(CC(F)(F)F)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C9H8BrF3N2O2/c1-15(4-9(11,12)13)7-6(8(16)17)2-5(10)3-14-7/h2-3H,4H2,1H3,(H,16,17)
InChIKeyGCHZGGJEMVTTGO-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid

5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid (PubChem CID 62000949) has the molecular formula C9H8BrF3N2O2 and a molecular weight of 313.07 g/mol. Its IUPAC name is 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
PubChem CID62000949
Molecular FormulaC9H8BrF3N2O2
Molecular Weight313.07 g/mol
Exact Mass311.97
IUPAC Name5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
SMILESCN(CC(F)(F)F)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C9H8BrF3N2O2/c1-15(4-9(11,12)13)7-6(8(16)17)2-5(10)3-14-7/h2-3H,4H2,1H3,(H,16,17)
InChIKeyGCHZGGJEMVTTGO-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid (CID 62000949) is 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid is CN(CC(F)(F)F)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GCHZGGJEMVTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O2/c1-15(4-9(11,12)13)7-6(8(16)17)2-5(10)3-14-7/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 313.07 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).