[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C12H15BrN2O — CID 80666813

IUPAC[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(CBr)C2)n1
InChIInChI=1S/C12H15BrN2O/c1-9-3-2-4-11(14-9)12(16)15-6-5-10(7-13)8-15/h2-4,10H,5-8H2,1H3
InChIKeyZEFKUYAIMVFIIV-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.25
Rot. Bonds2

About [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 80666813) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID80666813
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(CBr)C2)n1
InChIInChI=1S/C12H15BrN2O/c1-9-3-2-4-11(14-9)12(16)15-6-5-10(7-13)8-15/h2-4,10H,5-8H2,1H3
InChIKeyZEFKUYAIMVFIIV-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80667838
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
[4-(ethylamino)-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114498442
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81478415
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 80666813) is [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC(CBr)C2)n1.
What is the InChIKey of [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is ZEFKUYAIMVFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-9-3-2-4-11(14-9)12(16)15-6-5-10(7-13)8-15/h2-4,10H,5-8H2,1H3.
What are the key properties of [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 283.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 80666813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).