5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine

C11H13BrCl2N2 — CID 106365408

IUPAC5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
SMILESClCC1CCCC1Nc1ncc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2/c12-8-4-9(14)11(15-6-8)16-10-3-1-2-7(10)5-13/h4,6-7,10H,1-3,5H2,(H,15,16)
InChIKeyFMOYDCOHCADKPK-UHFFFAOYSA-N
MW324.05 g/mol
LogP4.32
Rot. Bonds3

About 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine

5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine (PubChem CID 106365408) has the molecular formula C11H13BrCl2N2 and a molecular weight of 324.05 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
PubChem CID106365408
Molecular FormulaC11H13BrCl2N2
Molecular Weight324.05 g/mol
Exact Mass321.96
IUPAC Name5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine
SMILESClCC1CCCC1Nc1ncc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2/c12-8-4-9(14)11(15-6-8)16-10-3-1-2-7(10)5-13/h4,6-7,10H,1-3,5H2,(H,15,16)
InChIKeyFMOYDCOHCADKPK-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.05
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine 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

5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 106359094
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
5-bromo-3-chloro-N-(2,2-dimethylcyclopropyl)pyridin-2-amine
CID 103582483
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
3,5-dichloro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281875
3-[(5-bromo-3-chloro-2-pyridinyl)amino]piperidin-2-one
CID 103582487
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine (CID 106365408) is 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine is ClCC1CCCC1Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine?
The InChIKey is FMOYDCOHCADKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2/c12-8-4-9(14)11(15-6-8)16-10-3-1-2-7(10)5-13/h4,6-7,10H,1-3,5H2,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine?
5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine has a molecular weight of 324.05 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[2-(chloromethyl)cyclopentyl]pyridin-2-amine is sourced from PubChem (CID 106365408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).