2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C11H11ClF3N3O — CID 55041654

IUPAC2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)N(CC(F)(F)F)C2CC2)cc(Cl)n1
InChIInChI=1S/C11H11ClF3N3O/c12-8-3-6(4-9(16)17-8)10(19)18(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H2,16,17)
InChIKeyRSPOYXKRCPKXQA-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 55041654) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID55041654
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)N(CC(F)(F)F)C2CC2)cc(Cl)n1
InChIInChI=1S/C11H11ClF3N3O/c12-8-3-6(4-9(16)17-8)10(19)18(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H2,16,17)
InChIKeyRSPOYXKRCPKXQA-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.48
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-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 55041654) is 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is Nc1cc(C(=O)N(CC(F)(F)F)C2CC2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is RSPOYXKRCPKXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c12-8-3-6(4-9(16)17-8)10(19)18(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H2,16,17).
What are the key properties of 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 293.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55041654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).