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

C11H12ClF3N2O2 — CID 55008762

IUPAC2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H12ClF3N2O2/c1-6(2)17(5-11(13,14)15)9-4-7(10(18)19)3-8(12)16-9/h3-4,6H,5H2,1-2H3,(H,18,19)
InChIKeyDVCFSBCQAJNOPO-UHFFFAOYSA-N
MW296.68 g/mol
LogP3.21
Rot. Bonds4

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

2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid (PubChem CID 55008762) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
PubChem CID55008762
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H12ClF3N2O2/c1-6(2)17(5-11(13,14)15)9-4-7(10(18)19)3-8(12)16-9/h3-4,6H,5H2,1-2H3,(H,18,19)
InChIKeyDVCFSBCQAJNOPO-UHFFFAOYSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid (CID 55008762) is 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid is CC(C)N(CC(F)(F)F)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is DVCFSBCQAJNOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-6(2)17(5-11(13,14)15)9-4-7(10(18)19)3-8(12)16-9/h3-4,6H,5H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 296.68 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 55008762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).