2-(6-bromo-3-pyridinyl)-2-ethylbutanamide

C11H15BrN2O — CID 23134442

IUPAC2-(6-bromo-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)(C(N)=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O/c1-3-11(4-2,10(13)15)8-5-6-9(12)14-7-8/h5-7H,3-4H2,1-2H3,(H2,13,15)
InChIKeyFPMFPIWAXOEIHU-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.39
Rot. Bonds4

About 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide

2-(6-bromo-3-pyridinyl)-2-ethylbutanamide (PubChem CID 23134442) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)-2-ethylbutanamide
PubChem CID23134442
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(6-bromo-3-pyridinyl)-2-ethylbutanamide
SMILESCCC(CC)(C(N)=O)c1ccc(Br)nc1
InChIInChI=1S/C11H15BrN2O/c1-3-11(4-2,10(13)15)8-5-6-9(12)14-7-8/h5-7H,3-4H2,1-2H3,(H2,13,15)
InChIKeyFPMFPIWAXOEIHU-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(6-bromo-3-pyridinyl)-2-ethylbutanamide?
The IUPAC name of 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide (CID 23134442) is 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide is CCC(CC)(C(N)=O)c1ccc(Br)nc1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide?
The InChIKey is FPMFPIWAXOEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-11(4-2,10(13)15)8-5-6-9(12)14-7-8/h5-7H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide?
2-(6-bromo-3-pyridinyl)-2-ethylbutanamide has a molecular weight of 271.16 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-pyridinyl)-2-ethylbutanamide is sourced from PubChem (CID 23134442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).