(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone

C16H15BrN2O — CID 168512036

IUPAC(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(Br)ccc1N1CCCC1
InChIInChI=1S/C16H15BrN2O/c17-12-6-7-15(19-9-3-4-10-19)13(11-12)16(20)14-5-1-2-8-18-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyKOXYIPVXTZWJMO-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.68
Rot. Bonds3

About (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone

(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone (PubChem CID 168512036) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone
PubChem CID168512036
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(Br)ccc1N1CCCC1
InChIInChI=1S/C16H15BrN2O/c17-12-6-7-15(19-9-3-4-10-19)13(11-12)16(20)14-5-1-2-8-18-14/h1-2,5-8,11H,3-4,9-10H2
InChIKeyKOXYIPVXTZWJMO-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone 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 (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone (CID 168512036) is (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cc(Br)ccc1N1CCCC1.
What is the InChIKey of (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone?
The InChIKey is KOXYIPVXTZWJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-12-6-7-15(19-9-3-4-10-19)13(11-12)16(20)14-5-1-2-8-18-14/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone?
(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone has a molecular weight of 331.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 168512036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).