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

C7H9BrN2 — CID 53403682

IUPAC2-(5-bromo-3-pyridinyl)ethanamine
SMILESNCCc1cncc(Br)c1
InChIInChI=1S/C7H9BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1-2,9H2
InChIKeyROSYCOHYDFZWEV-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.35
Rot. Bonds2

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

2-(5-bromo-3-pyridinyl)ethanamine (PubChem CID 53403682) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)ethanamine
PubChem CID53403682
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-(5-bromo-3-pyridinyl)ethanamine
SMILESNCCc1cncc(Br)c1
InChIInChI=1S/C7H9BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1-2,9H2
InChIKeyROSYCOHYDFZWEV-UHFFFAOYSA-N
XLogP1.35
TPSA38.91 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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)ethanamine (CID 53403682) is 2-(5-bromo-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)ethanamine is NCCc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)ethanamine?
The InChIKey is ROSYCOHYDFZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1-2,9H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)ethanamine?
2-(5-bromo-3-pyridinyl)ethanamine has a molecular weight of 201.07 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)ethanamine is sourced from PubChem (CID 53403682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).