1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine

C11H16BrN3 — CID 63174837

IUPAC1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ncccc2Br)C1
InChIInChI=1S/C11H16BrN3/c1-14(2)9-5-7-15(8-9)11-10(12)4-3-6-13-11/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyXCRONLQQXJZIQG-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine

1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63174837) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID63174837
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ncccc2Br)C1
InChIInChI=1S/C11H16BrN3/c1-14(2)9-5-7-15(8-9)11-10(12)4-3-6-13-11/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyXCRONLQQXJZIQG-UHFFFAOYSA-N
XLogP1.98
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine (CID 63174837) is 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ncccc2Br)C1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XCRONLQQXJZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-14(2)9-5-7-15(8-9)11-10(12)4-3-6-13-11/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine?
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 270.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63174837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).