2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid

C9H8ClF3N2O2 — CID 60892366

IUPAC2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
SMILESCN(CC(F)(F)F)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H8ClF3N2O2/c1-15(4-9(11,12)13)7-3-5(8(16)17)2-6(10)14-7/h2-3H,4H2,1H3,(H,16,17)
InChIKeyZCFNPGAEYZACPO-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid (PubChem CID 60892366) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
PubChem CID60892366
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
SMILESCN(CC(F)(F)F)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C9H8ClF3N2O2/c1-15(4-9(11,12)13)7-3-5(8(16)17)2-6(10)14-7/h2-3H,4H2,1H3,(H,16,17)
InChIKeyZCFNPGAEYZACPO-UHFFFAOYSA-N
XLogP2.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid (CID 60892366) is 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid is CN(CC(F)(F)F)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZCFNPGAEYZACPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c1-15(4-9(11,12)13)7-3-5(8(16)17)2-6(10)14-7/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 268.62 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 60892366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).