3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane

C13H18BrN3 — CID 79098403

IUPAC3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(c1ccc(Br)cn1)CC2
InChIInChI=1S/C13H18BrN3/c1-16-11-3-4-12(16)9-17(7-6-11)13-5-2-10(14)8-15-13/h2,5,8,11-12H,3-4,6-7,9H2,1H3
InChIKeyDDFIFJORQSRTSW-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.52
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane

3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 79098403) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID79098403
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1C2CCC1CN(c1ccc(Br)cn1)CC2
InChIInChI=1S/C13H18BrN3/c1-16-11-3-4-12(16)9-17(7-6-11)13-5-2-10(14)8-15-13/h2,5,8,11-12H,3-4,6-7,9H2,1H3
InChIKeyDDFIFJORQSRTSW-UHFFFAOYSA-N
XLogP2.52
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane with MolForge

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Related Compounds

5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
CID 80635204
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
CID 114961588
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 125138255
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
N-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 66673305
5-bromo-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-3-amine
CID 103518287
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane (CID 79098403) is 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane is CN1C2CCC1CN(c1ccc(Br)cn1)CC2.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is DDFIFJORQSRTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-16-11-3-4-12(16)9-17(7-6-11)13-5-2-10(14)8-15-13/h2,5,8,11-12H,3-4,6-7,9H2,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane?
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 296.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 79098403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).