N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide

C11H15BrN2O — CID 115268287

IUPACN-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)10(15)14(4)9-6-5-8(12)7-13-9/h5-7H,1-4H3
InChIKeyNXGKGKXVMINMBC-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.85
Rot. Bonds1

About N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide

N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide (PubChem CID 115268287) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
PubChem CID115268287
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O/c1-11(2,3)10(15)14(4)9-6-5-8(12)7-13-9/h5-7H,1-4H3
InChIKeyNXGKGKXVMINMBC-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide (CID 115268287) is N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide?
The InChIKey is NXGKGKXVMINMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,3)10(15)14(4)9-6-5-8(12)7-13-9/h5-7H,1-4H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide?
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide has a molecular weight of 271.16 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).