[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine

C10H14BrN3 — CID 71644668

IUPAC[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cccc(Br)n1
InChIInChI=1S/C10H14BrN3/c11-9-4-1-5-10(13-9)14-6-2-3-8(14)7-12/h1,4-5,8H,2-3,6-7,12H2
InChIKeyQKPCWMDPINPBLG-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.77
Rot. Bonds2

About [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine

[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine (PubChem CID 71644668) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
PubChem CID71644668
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1cccc(Br)n1
InChIInChI=1S/C10H14BrN3/c11-9-4-1-5-10(13-9)14-6-2-3-8(14)7-12/h1,4-5,8H,2-3,6-7,12H2
InChIKeyQKPCWMDPINPBLG-UHFFFAOYSA-N
XLogP1.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 80668053
[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
CID 116640188
[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine
CID 113284583
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55241037
tert-butyl N-[[(2S)-1-(6-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174187
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine (CID 71644668) is [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1cccc(Br)n1.
What is the InChIKey of [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine?
The InChIKey is QKPCWMDPINPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c11-9-4-1-5-10(13-9)14-6-2-3-8(14)7-12/h1,4-5,8H,2-3,6-7,12H2.
What are the key properties of [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine?
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine has a molecular weight of 256.15 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 71644668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).