5-(bromomethyl)-1H-pyridin-2-one;hydrobromide

C6H7Br2NO — CID 57475483

IUPAC5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
SMILESBr.O=c1ccc(CBr)c[nH]1
InChIInChI=1S/C6H6BrNO.BrH/c7-3-5-1-2-6(9)8-4-5;/h1-2,4H,3H2,(H,8,9);1H
InChIKeyHGJZMANIFHWVII-UHFFFAOYSA-N
MW268.94 g/mol
LogP1.85
Rot. Bonds1

About 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide

5-(bromomethyl)-1H-pyridin-2-one;hydrobromide (PubChem CID 57475483) has the molecular formula C6H7Br2NO and a molecular weight of 268.94 g/mol. Its IUPAC name is 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
PubChem CID57475483
Molecular FormulaC6H7Br2NO
Molecular Weight268.94 g/mol
Exact Mass266.89
IUPAC Name5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
SMILESBr.O=c1ccc(CBr)c[nH]1
InChIInChI=1S/C6H6BrNO.BrH/c7-3-5-1-2-6(9)8-4-5;/h1-2,4H,3H2,(H,8,9);1H
InChIKeyHGJZMANIFHWVII-UHFFFAOYSA-N
XLogP1.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.94
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide?
The IUPAC name of 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide (CID 57475483) is 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide is Br.O=c1ccc(CBr)c[nH]1.
What is the InChIKey of 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide?
The InChIKey is HGJZMANIFHWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.BrH/c7-3-5-1-2-6(9)8-4-5;/h1-2,4H,3H2,(H,8,9);1H.
What are the key properties of 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide?
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide has a molecular weight of 268.94 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1H-pyridin-2-one;hydrobromide is sourced from PubChem (CID 57475483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).