(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone

C13H17BrN2O — CID 66465121

IUPAC(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Br)nc2)C1C
InChIInChI=1S/C13H17BrN2O/c1-9-4-3-7-16(10(9)2)13(17)11-5-6-12(14)15-8-11/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyOWRIMDVSPLULPT-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.10
Rot. Bonds1

About (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone

(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 66465121) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID66465121
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Br)nc2)C1C
InChIInChI=1S/C13H17BrN2O/c1-9-4-3-7-16(10(9)2)13(17)11-5-6-12(14)15-8-11/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyOWRIMDVSPLULPT-UHFFFAOYSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.10
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

(5-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122883
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
(4-amino-3-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123341
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-bromo-3-pyridinyl)methanone
CID 66462936
(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 66463523
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 66465121) is (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Br)nc2)C1C.
What is the InChIKey of (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is OWRIMDVSPLULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-3-7-16(10(9)2)13(17)11-5-6-12(14)15-8-11/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 297.20 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 66465121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).