N-(5-bromo-2-pyridinyl)butanamide

C9H11BrN2O — CID 876084

IUPACN-(5-bromo-2-pyridinyl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-2-3-9(13)12-8-5-4-7(10)6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13)
InChIKeyGPUHGOJHYYRRJH-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.58
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)butanamide

N-(5-bromo-2-pyridinyl)butanamide (PubChem CID 876084) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)butanamide
PubChem CID876084
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(5-bromo-2-pyridinyl)butanamide
SMILESCCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-2-3-9(13)12-8-5-4-7(10)6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13)
InChIKeyGPUHGOJHYYRRJH-UHFFFAOYSA-N
XLogP2.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)butanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)butanamide (CID 876084) is N-(5-bromo-2-pyridinyl)butanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)butanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)butanamide is CCCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)butanamide?
The InChIKey is GPUHGOJHYYRRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-2-3-9(13)12-8-5-4-7(10)6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13).
What are the key properties of N-(5-bromo-2-pyridinyl)butanamide?
N-(5-bromo-2-pyridinyl)butanamide has a molecular weight of 243.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)butanamide is sourced from PubChem (CID 876084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).