(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C12H16BrN3O — CID 103916821

IUPAC(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C12H16BrN3O/c1-15(2)9-6-7-16(8-9)12(17)10-4-3-5-11(13)14-10/h3-5,9H,6-8H2,1-2H3
InChIKeyTZRJSYWXDBQQNN-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.62
Rot. Bonds2

About (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone

(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 103916821) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID103916821
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C12H16BrN3O/c1-15(2)9-6-7-16(8-9)12(17)10-4-3-5-11(13)14-10/h3-5,9H,6-8H2,1-2H3
InChIKeyTZRJSYWXDBQQNN-UHFFFAOYSA-N
XLogP1.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
(6-bromo-2-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 103917023
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
1-(6-bromopyridine-2-carbonyl)piperidine-4-carbonitrile
CID 113351440
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
(6-bromo-2-pyridinyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 103916743
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 103916821) is (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cccc(Br)n2)C1.
What is the InChIKey of (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is TZRJSYWXDBQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-15(2)9-6-7-16(8-9)12(17)10-4-3-5-11(13)14-10/h3-5,9H,6-8H2,1-2H3.
What are the key properties of (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 298.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 103916821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).