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

C11H16BrN3 — CID 115741359

IUPAC[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C11H16BrN3/c12-11-3-10(5-14-6-11)8-15-2-1-9(4-13)7-15/h3,5-6,9H,1-2,4,7-8,13H2
InChIKeyYFSJBWQXJAEKAT-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.62
Rot. Bonds3

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

[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 115741359) 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-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID115741359
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cncc(Br)c2)C1
InChIInChI=1S/C11H16BrN3/c12-11-3-10(5-14-6-11)8-15-2-1-9(4-13)7-15/h3,5-6,9H,1-2,4,7-8,13H2
InChIKeyYFSJBWQXJAEKAT-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
CID 104800887
[1-[(5-bromo-3-pyridinyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 104798108
3-bromo-5-[[3-(fluoromethyl)azetidin-1-yl]methyl]pyridine
CID 171993882
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154906521
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (CID 115741359) is [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2cncc(Br)c2)C1.
What is the InChIKey of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is YFSJBWQXJAEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-11-3-10(5-14-6-11)8-15-2-1-9(4-13)7-15/h3,5-6,9H,1-2,4,7-8,13H2.
What are the key properties of [1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 1.62, 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-3-yl]methanamine is sourced from PubChem (CID 115741359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).