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

C8H11BrN2 — CID 83886539

IUPAC1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(C)ccc1Br
InChIInChI=1S/C8H11BrN2/c1-6-3-4-7(9)8(11-6)5-10-2/h3-4,10H,5H2,1-2H3
InChIKeyDPRAJABFKPYNMI-UHFFFAOYSA-N
MW215.09 g/mol
LogP1.87
Rot. Bonds2

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

1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine (PubChem CID 83886539) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine
PubChem CID83886539
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(C)ccc1Br
InChIInChI=1S/C8H11BrN2/c1-6-3-4-7(9)8(11-6)5-10-2/h3-4,10H,5H2,1-2H3
InChIKeyDPRAJABFKPYNMI-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine (CID 83886539) is 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine is CNCc1nc(C)ccc1Br.
What is the InChIKey of 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine?
The InChIKey is DPRAJABFKPYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6-3-4-7(9)8(11-6)5-10-2/h3-4,10H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine?
1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine has a molecular weight of 215.09 g/mol, XLogP of 1.87, 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-methyl-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 83886539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).