[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine

C11H16BrN3 — CID 115741520

IUPAC[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1cncc(Br)c1
InChIInChI=1S/C11H16BrN3/c12-10-4-9(6-14-7-10)8-15-3-1-2-11(15)5-13/h4,6-7,11H,1-3,5,8,13H2
InChIKeyOXIATPMPDSIQNN-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.77
Rot. Bonds3

About [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115741520) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115741520
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1cncc(Br)c1
InChIInChI=1S/C11H16BrN3/c12-10-4-9(6-14-7-10)8-15-3-1-2-11(15)5-13/h4,6-7,11H,1-3,5,8,13H2
InChIKeyOXIATPMPDSIQNN-UHFFFAOYSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 104973692
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 115593313
1-[(5-bromo-3-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 104797256
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 104798186
[1-[(3-bromo-5-nitrophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 103351362
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 104798108

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine (CID 115741520) is [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1cncc(Br)c1.
What is the InChIKey of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is OXIATPMPDSIQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-10-4-9(6-14-7-10)8-15-3-1-2-11(15)5-13/h4,6-7,11H,1-3,5,8,13H2.
What are the key properties of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115741520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).