3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one

C11H9BrN2O — CID 114761354

IUPAC3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1ccncc1
InChIInChI=1S/C11H9BrN2O/c12-10-2-1-7-14(11(10)15)8-9-3-5-13-6-4-9/h1-7H,8H2
InChIKeyMUPSQHHDHATOTJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.05
Rot. Bonds2

About 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one

3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one (PubChem CID 114761354) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
PubChem CID114761354
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1ccncc1
InChIInChI=1S/C11H9BrN2O/c12-10-2-1-7-14(11(10)15)8-9-3-5-13-6-4-9/h1-7H,8H2
InChIKeyMUPSQHHDHATOTJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one (CID 114761354) is 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one is O=c1c(Br)cccn1Cc1ccncc1.
What is the InChIKey of 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one?
The InChIKey is MUPSQHHDHATOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-2-1-7-14(11(10)15)8-9-3-5-13-6-4-9/h1-7H,8H2.
What are the key properties of 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one?
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one has a molecular weight of 265.11 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 114761354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).