2-(5-bromo-4-methyl-3-pyridinyl)ethanamine

C8H11BrN2 — CID 83886537

IUPAC2-(5-bromo-4-methyl-3-pyridinyl)ethanamine
SMILESCc1c(Br)cncc1CCN
InChIInChI=1S/C8H11BrN2/c1-6-7(2-3-10)4-11-5-8(6)9/h4-5H,2-3,10H2,1H3
InChIKeyJPLFEZUHNBXDCW-UHFFFAOYSA-N
MW215.09 g/mol
LogP1.65
Rot. Bonds2

About 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine

2-(5-bromo-4-methyl-3-pyridinyl)ethanamine (PubChem CID 83886537) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-3-pyridinyl)ethanamine
PubChem CID83886537
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name2-(5-bromo-4-methyl-3-pyridinyl)ethanamine
SMILESCc1c(Br)cncc1CCN
InChIInChI=1S/C8H11BrN2/c1-6-7(2-3-10)4-11-5-8(6)9/h4-5H,2-3,10H2,1H3
InChIKeyJPLFEZUHNBXDCW-UHFFFAOYSA-N
XLogP1.65
TPSA38.91 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine (CID 83886537) is 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine is Cc1c(Br)cncc1CCN.
What is the InChIKey of 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine?
The InChIKey is JPLFEZUHNBXDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-6-7(2-3-10)4-11-5-8(6)9/h4-5H,2-3,10H2,1H3.
What are the key properties of 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine?
2-(5-bromo-4-methyl-3-pyridinyl)ethanamine has a molecular weight of 215.09 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 83886537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).