3-(4-bromo-2-pyridinyl)propanamide

C8H9BrN2O — CID 68521995

IUPAC3-(4-bromo-2-pyridinyl)propanamide
SMILESNC(=O)CCc1cc(Br)ccn1
InChIInChI=1S/C8H9BrN2O/c9-6-3-4-11-7(5-6)1-2-8(10)12/h3-5H,1-2H2,(H2,10,12)
InChIKeyWXAVPCKBRATHET-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.26
Rot. Bonds3

About 3-(4-bromo-2-pyridinyl)propanamide

3-(4-bromo-2-pyridinyl)propanamide (PubChem CID 68521995) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 3-(4-bromo-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-pyridinyl)propanamide
PubChem CID68521995
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name3-(4-bromo-2-pyridinyl)propanamide
SMILESNC(=O)CCc1cc(Br)ccn1
InChIInChI=1S/C8H9BrN2O/c9-6-3-4-11-7(5-6)1-2-8(10)12/h3-5H,1-2H2,(H2,10,12)
InChIKeyWXAVPCKBRATHET-UHFFFAOYSA-N
XLogP1.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-pyridinyl)propanamide?
The IUPAC name of 3-(4-bromo-2-pyridinyl)propanamide (CID 68521995) is 3-(4-bromo-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-pyridinyl)propanamide?
The canonical SMILES for 3-(4-bromo-2-pyridinyl)propanamide is NC(=O)CCc1cc(Br)ccn1.
What is the InChIKey of 3-(4-bromo-2-pyridinyl)propanamide?
The InChIKey is WXAVPCKBRATHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-6-3-4-11-7(5-6)1-2-8(10)12/h3-5H,1-2H2,(H2,10,12).
What are the key properties of 3-(4-bromo-2-pyridinyl)propanamide?
3-(4-bromo-2-pyridinyl)propanamide has a molecular weight of 229.08 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-pyridinyl)propanamide is sourced from PubChem (CID 68521995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).