2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid

C10H10ClF3N2O2 — CID 114131107

IUPAC2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CC(F)(F)F)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-5(4-10(12,13)14)15-8-3-6(9(17)18)2-7(11)16-8/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyASMIOBZEUDYIER-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.19
Rot. Bonds4

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

2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 114131107) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID114131107
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CC(F)(F)F)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-5(4-10(12,13)14)15-8-3-6(9(17)18)2-7(11)16-8/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyASMIOBZEUDYIER-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.19
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-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid (CID 114131107) is 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid is CC(CC(F)(F)F)Nc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is ASMIOBZEUDYIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-5(4-10(12,13)14)15-8-3-6(9(17)18)2-7(11)16-8/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 282.65 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114131107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).