(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone

C12H15BrN2O — CID 103755536

IUPAC(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)c2cccnc2Br)C1
InChIInChI=1S/C12H15BrN2O/c1-8-6-9(2)15(7-8)12(16)10-4-3-5-14-11(10)13/h3-5,8-9H,6-7H2,1-2H3
InChIKeyJLQBRLCCZDTMGK-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.71
Rot. Bonds1

About (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone

(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 103755536) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID103755536
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)c2cccnc2Br)C1
InChIInChI=1S/C12H15BrN2O/c1-8-6-9(2)15(7-8)12(16)10-4-3-5-14-11(10)13/h3-5,8-9H,6-7H2,1-2H3
InChIKeyJLQBRLCCZDTMGK-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337
(3,5-dimethylcyclohexyl) 2-bromopyridine-3-carboxylate
CID 114036367
(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103758948
(2,4-dimethylpyrrolidin-1-yl)-(1-hydrazinylisoquinolin-4-yl)methanone
CID 106774476
(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 115643711
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 114011408
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 103755201
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
4-(2-bromopyridine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 114037179

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone (CID 103755536) is (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone is CC1CC(C)N(C(=O)c2cccnc2Br)C1.
What is the InChIKey of (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is JLQBRLCCZDTMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-6-9(2)15(7-8)12(16)10-4-3-5-14-11(10)13/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 283.17 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103755536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).