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

C7H9BrN2 — CID 18525943

IUPAC1-(6-bromo-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1cccc(Br)n1
InChIInChI=1S/C7H9BrN2/c1-9-5-6-3-2-4-7(8)10-6/h2-4,9H,5H2,1H3
InChIKeyUXUZAQVJXNKSIZ-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.56
Rot. Bonds2

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

1-(6-bromo-2-pyridinyl)-N-methylmethanamine (PubChem CID 18525943) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-methylmethanamine
PubChem CID18525943
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name1-(6-bromo-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1cccc(Br)n1
InChIInChI=1S/C7H9BrN2/c1-9-5-6-3-2-4-7(8)10-6/h2-4,9H,5H2,1H3
InChIKeyUXUZAQVJXNKSIZ-UHFFFAOYSA-N
XLogP1.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-methylmethanamine (CID 18525943) is 1-(6-bromo-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-methylmethanamine is CNCc1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-methylmethanamine?
The InChIKey is UXUZAQVJXNKSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-9-5-6-3-2-4-7(8)10-6/h2-4,9H,5H2,1H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-methylmethanamine?
1-(6-bromo-2-pyridinyl)-N-methylmethanamine has a molecular weight of 201.07 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 18525943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).