2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid

C8H6ClF3N2O2 — CID 43166610

IUPAC2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(NCC(F)(F)F)c1
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-4(7(15)16)2-6(14-5)13-3-8(10,11)12/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyWFBNQABJDDJGPH-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid

2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid (PubChem CID 43166610) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
PubChem CID43166610
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(NCC(F)(F)F)c1
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-4(7(15)16)2-6(14-5)13-3-8(10,11)12/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyWFBNQABJDDJGPH-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
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-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid (CID 43166610) is 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(NCC(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
The InChIKey is WFBNQABJDDJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-5-1-4(7(15)16)2-6(14-5)13-3-8(10,11)12/h1-2H,3H2,(H,13,14)(H,15,16).
What are the key properties of 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid?
2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid has a molecular weight of 254.59 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43166610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).