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

C8H7ClF3N3O — CID 62153591

IUPAC2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H7ClF3N3O/c9-5-1-4(2-6(13)15-5)7(16)14-3-8(10,11)12/h1-2H,3H2,(H2,13,15)(H,14,16)
InChIKeyIVTAXRPIYJJQBJ-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.61
Rot. Bonds2

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

2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 62153591) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID62153591
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H7ClF3N3O/c9-5-1-4(2-6(13)15-5)7(16)14-3-8(10,11)12/h1-2H,3H2,(H2,13,15)(H,14,16)
InChIKeyIVTAXRPIYJJQBJ-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.61
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-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 62153591) is 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCC(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is IVTAXRPIYJJQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c9-5-1-4(2-6(13)15-5)7(16)14-3-8(10,11)12/h1-2H,3H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62153591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).