1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine

C8H11BrN2O — CID 62292466

IUPAC1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OC
InChIInChI=1S/C8H11BrN2O/c1-10-4-6-3-7(9)5-11-8(6)12-2/h3,5,10H,4H2,1-2H3
InChIKeyXTGZEYFEWDFDPT-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.57
Rot. Bonds3

About 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine

1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 62292466) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID62292466
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OC
InChIInChI=1S/C8H11BrN2O/c1-10-4-6-3-7(9)5-11-8(6)12-2/h3,5,10H,4H2,1-2H3
InChIKeyXTGZEYFEWDFDPT-UHFFFAOYSA-N
XLogP1.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine (CID 62292466) is 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine is CNCc1cc(Br)cnc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is XTGZEYFEWDFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-10-4-6-3-7(9)5-11-8(6)12-2/h3,5,10H,4H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 231.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 62292466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).