1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine

C10H14BrN3 — CID 79718817

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
SMILESCc1cc(Br)cnc1N1CCC(N)C1
InChIInChI=1S/C10H14BrN3/c1-7-4-8(11)5-13-10(7)14-3-2-9(12)6-14/h4-5,9H,2-3,6,12H2,1H3
InChIKeyJDJQQUNDKOOQLQ-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.69
Rot. Bonds1

About 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine

1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine (PubChem CID 79718817) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
PubChem CID79718817
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
SMILESCc1cc(Br)cnc1N1CCC(N)C1
InChIInChI=1S/C10H14BrN3/c1-7-4-8(11)5-13-10(7)14-3-2-9(12)6-14/h4-5,9H,2-3,6,12H2,1H3
InChIKeyJDJQQUNDKOOQLQ-UHFFFAOYSA-N
XLogP1.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine (CID 79718817) is 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine is Cc1cc(Br)cnc1N1CCC(N)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine?
The InChIKey is JDJQQUNDKOOQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-7-4-8(11)5-13-10(7)14-3-2-9(12)6-14/h4-5,9H,2-3,6,12H2,1H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine?
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine has a molecular weight of 256.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine is sourced from PubChem (CID 79718817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).