1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one

C11H9BrN2O — CID 21219225

IUPAC1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(CBr)cn1
InChIInChI=1S/C11H9BrN2O/c12-7-9-4-5-10(13-8-9)14-6-2-1-3-11(14)15/h1-6,8H,7H2
InChIKeyZDSWRVGWSYBMOF-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.13
Rot. Bonds2

About 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one

1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 21219225) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one
PubChem CID21219225
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(CBr)cn1
InChIInChI=1S/C11H9BrN2O/c12-7-9-4-5-10(13-8-9)14-6-2-1-3-11(14)15/h1-6,8H,7H2
InChIKeyZDSWRVGWSYBMOF-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one (CID 21219225) is 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one is O=c1ccccn1-c1ccc(CBr)cn1.
What is the InChIKey of 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one?
The InChIKey is ZDSWRVGWSYBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-7-9-4-5-10(13-8-9)14-6-2-1-3-11(14)15/h1-6,8H,7H2.
What are the key properties of 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one?
1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one has a molecular weight of 265.11 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 21219225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).