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

C10H11ClF3N3O — CID 55042919

IUPAC2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O/c1-2-15-8-4-6(3-7(11)17-8)9(18)16-5-10(12,13)14/h3-4H,2,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyUWXYXXDVPJSDFO-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.46
Rot. Bonds4

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

2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 55042919) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID55042919
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O/c1-2-15-8-4-6(3-7(11)17-8)9(18)16-5-10(12,13)14/h3-4H,2,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyUWXYXXDVPJSDFO-UHFFFAOYSA-N
XLogP2.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.46
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-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 55042919) is 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCC(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is UWXYXXDVPJSDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-2-15-8-4-6(3-7(11)17-8)9(18)16-5-10(12,13)14/h3-4H,2,5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55042919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).