acetyl bromide;pyridine

C7H8BrNO — CID 87730061

IUPACacetyl bromide;pyridine
SMILESCC(=O)Br.c1ccncc1
InChIInChI=1S/C5H5N.C2H3BrO/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3
InChIKeyBBPRXMNHNLGQSR-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.01
Rot. Bonds

About acetyl bromide;pyridine

acetyl bromide;pyridine (PubChem CID 87730061) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is acetyl bromide;pyridine.

Molecular Properties

Compound Nameacetyl bromide;pyridine
PubChem CID87730061
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Nameacetyl bromide;pyridine
SMILESCC(=O)Br.c1ccncc1
InChIInChI=1S/C5H5N.C2H3BrO/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3
InChIKeyBBPRXMNHNLGQSR-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyl bromide;pyridine?
The IUPAC name of acetyl bromide;pyridine (CID 87730061) is acetyl bromide;pyridine.
What is the SMILES notation for acetyl bromide;pyridine?
The canonical SMILES for acetyl bromide;pyridine is CC(=O)Br.c1ccncc1.
What is the InChIKey of acetyl bromide;pyridine?
The InChIKey is BBPRXMNHNLGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H3BrO/c1-2-4-6-5-3-1;1-2(3)4/h1-5H;1H3.
What are the key properties of acetyl bromide;pyridine?
acetyl bromide;pyridine has a molecular weight of 202.05 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl bromide;pyridine is sourced from PubChem (CID 87730061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).