1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine

C7H8BrClN2 — CID 130116038

IUPAC1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(Cl)ccc1Br
InChIInChI=1S/C7H8BrClN2/c1-10-4-6-5(8)2-3-7(9)11-6/h2-3,10H,4H2,1H3
InChIKeyLZLOVQRWTQQTMG-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.22
Rot. Bonds2

About 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine

1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine (PubChem CID 130116038) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine
PubChem CID130116038
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(Cl)ccc1Br
InChIInChI=1S/C7H8BrClN2/c1-10-4-6-5(8)2-3-7(9)11-6/h2-3,10H,4H2,1H3
InChIKeyLZLOVQRWTQQTMG-UHFFFAOYSA-N
XLogP2.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine 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-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine (CID 130116038) is 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine is CNCc1nc(Cl)ccc1Br.
What is the InChIKey of 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is LZLOVQRWTQQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2/c1-10-4-6-5(8)2-3-7(9)11-6/h2-3,10H,4H2,1H3.
What are the key properties of 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine?
1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 235.51 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 130116038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).