N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide

C11H15BrN2O2 — CID 71557103

IUPACN-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
SMILESCCCC(C)(O)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-3-5-11(2,16)10(15)14-8-4-6-13-9(12)7-8/h4,6-7,16H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyQLKJWVSZLOPVIY-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.33
Rot. Bonds4

About N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide (PubChem CID 71557103) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
PubChem CID71557103
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide
SMILESCCCC(C)(O)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-3-5-11(2,16)10(15)14-8-4-6-13-9(12)7-8/h4,6-7,16H,3,5H2,1-2H3,(H,13,14,15)
InChIKeyQLKJWVSZLOPVIY-UHFFFAOYSA-N
XLogP2.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.33
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 N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide (CID 71557103) is N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide is CCCC(C)(O)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
The InChIKey is QLKJWVSZLOPVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-5-11(2,16)10(15)14-8-4-6-13-9(12)7-8/h4,6-7,16H,3,5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide?
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide has a molecular weight of 287.16 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylpentanamide is sourced from PubChem (CID 71557103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).