N-[(5-bromo-2-pyridinyl)methyl]acetamide

C8H9BrN2O — CID 86729300

IUPACN-[(5-bromo-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2O/c1-6(12)10-5-8-3-2-7(9)4-11-8/h2-4H,5H2,1H3,(H,10,12)
InChIKeySVVYOYXJGJXAPS-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.48
Rot. Bonds2

About N-[(5-bromo-2-pyridinyl)methyl]acetamide

N-[(5-bromo-2-pyridinyl)methyl]acetamide (PubChem CID 86729300) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]acetamide
PubChem CID86729300
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2O/c1-6(12)10-5-8-3-2-7(9)4-11-8/h2-4H,5H2,1H3,(H,10,12)
InChIKeySVVYOYXJGJXAPS-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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)methyl]acetamide?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]acetamide (CID 86729300) is N-[(5-bromo-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]acetamide is CC(=O)NCc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]acetamide?
The InChIKey is SVVYOYXJGJXAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-6(12)10-5-8-3-2-7(9)4-11-8/h2-4H,5H2,1H3,(H,10,12).
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]acetamide?
N-[(5-bromo-2-pyridinyl)methyl]acetamide has a molecular weight of 229.08 g/mol, XLogP of 1.48, 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)methyl]acetamide is sourced from PubChem (CID 86729300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).