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

C8H9BrN2O — CID 774878

IUPACN-(5-bromo-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyBBIDCRCDYZHCBN-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.19
Rot. Bonds2

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

N-(5-bromo-2-pyridinyl)propanamide (PubChem CID 774878) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)propanamide
PubChem CID774878
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-(5-bromo-2-pyridinyl)propanamide
SMILESCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKeyBBIDCRCDYZHCBN-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.19
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)propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)propanamide (CID 774878) is N-(5-bromo-2-pyridinyl)propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)propanamide is CCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)propanamide?
The InChIKey is BBIDCRCDYZHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-2-8(12)11-7-4-3-6(9)5-10-7/h3-5H,2H2,1H3,(H,10,11,12).
What are the key properties of N-(5-bromo-2-pyridinyl)propanamide?
N-(5-bromo-2-pyridinyl)propanamide has a molecular weight of 229.08 g/mol, XLogP of 2.19, 2 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)propanamide is sourced from PubChem (CID 774878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).