N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H11BrF3N3O2 — CID 103205694

IUPACN-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNc1cnc(NC(=O)CCOCC(F)(F)F)c(Br)c1
InChIInChI=1S/C10H11BrF3N3O2/c11-7-3-6(15)4-16-9(7)17-8(18)1-2-19-5-10(12,13)14/h3-4H,1-2,5,15H2,(H,16,17,18)
InChIKeyDGXBCVAEUSGPOK-UHFFFAOYSA-N
MW342.12 g/mol
LogP2.33
Rot. Bonds5

About N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205694) has the molecular formula C10H11BrF3N3O2 and a molecular weight of 342.12 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205694
Molecular FormulaC10H11BrF3N3O2
Molecular Weight342.12 g/mol
Exact Mass341.00
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNc1cnc(NC(=O)CCOCC(F)(F)F)c(Br)c1
InChIInChI=1S/C10H11BrF3N3O2/c11-7-3-6(15)4-16-9(7)17-8(18)1-2-19-5-10(12,13)14/h3-4H,1-2,5,15H2,(H,16,17,18)
InChIKeyDGXBCVAEUSGPOK-UHFFFAOYSA-N
XLogP2.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205694) is N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide is Nc1cnc(NC(=O)CCOCC(F)(F)F)c(Br)c1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is DGXBCVAEUSGPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O2/c11-7-3-6(15)4-16-9(7)17-8(18)1-2-19-5-10(12,13)14/h3-4H,1-2,5,15H2,(H,16,17,18).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 342.12 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).