[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine

C11H16BrN3 — CID 106876092

IUPAC[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccnc(N2CCC(CN)C2)c1Br
InChIInChI=1S/C11H16BrN3/c1-8-2-4-14-11(10(8)12)15-5-3-9(6-13)7-15/h2,4,9H,3,5-7,13H2,1H3
InChIKeyXFQDAHSSUFPDLY-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.94
Rot. Bonds2

About [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine

[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine (PubChem CID 106876092) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
PubChem CID106876092
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccnc(N2CCC(CN)C2)c1Br
InChIInChI=1S/C11H16BrN3/c1-8-2-4-14-11(10(8)12)15-5-3-9(6-13)7-15/h2,4,9H,3,5-7,13H2,1H3
InChIKeyXFQDAHSSUFPDLY-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
2-[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 106876147
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 166915934
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79044078
4-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 106875241
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-amine
CID 106879157

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine (CID 106876092) is [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine is Cc1ccnc(N2CCC(CN)C2)c1Br.
What is the InChIKey of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine?
The InChIKey is XFQDAHSSUFPDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-2-4-14-11(10(8)12)15-5-3-9(6-13)7-15/h2,4,9H,3,5-7,13H2,1H3.
What are the key properties of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine?
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106876092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).