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

C9H11BrN2O — CID 23134496

IUPAC2-(6-bromo-3-pyridinyl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(Br)nc1
InChIInChI=1S/C9H11BrN2O/c1-9(2,8(11)13)6-3-4-7(10)12-5-6/h3-5H,1-2H3,(H2,11,13)
InChIKeyQMULFGQEHVYDHK-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.61
Rot. Bonds2

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

2-(6-bromo-3-pyridinyl)-2-methylpropanamide (PubChem CID 23134496) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)-2-methylpropanamide
PubChem CID23134496
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(6-bromo-3-pyridinyl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(Br)nc1
InChIInChI=1S/C9H11BrN2O/c1-9(2,8(11)13)6-3-4-7(10)12-5-6/h3-5H,1-2H3,(H2,11,13)
InChIKeyQMULFGQEHVYDHK-UHFFFAOYSA-N
XLogP1.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.61
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-methylpropanamide?
The IUPAC name of 2-(6-bromo-3-pyridinyl)-2-methylpropanamide (CID 23134496) is 2-(6-bromo-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)-2-methylpropanamide is CC(C)(C(N)=O)c1ccc(Br)nc1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)-2-methylpropanamide?
The InChIKey is QMULFGQEHVYDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-9(2,8(11)13)6-3-4-7(10)12-5-6/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 2-(6-bromo-3-pyridinyl)-2-methylpropanamide?
2-(6-bromo-3-pyridinyl)-2-methylpropanamide has a molecular weight of 243.10 g/mol, XLogP of 1.61, 2 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-methylpropanamide is sourced from PubChem (CID 23134496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).