3-bromo-N-butan-2-ylpyridin-2-amine

C9H13BrN2 — CID 61374838

IUPAC3-bromo-N-butan-2-ylpyridin-2-amine
SMILESCCC(C)Nc1ncccc1Br
InChIInChI=1S/C9H13BrN2/c1-3-7(2)12-9-8(10)5-4-6-11-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyOAVALGPMXFZDGG-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.05
Rot. Bonds3

About 3-bromo-N-butan-2-ylpyridin-2-amine

3-bromo-N-butan-2-ylpyridin-2-amine (PubChem CID 61374838) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 3-bromo-N-butan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-butan-2-ylpyridin-2-amine
PubChem CID61374838
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name3-bromo-N-butan-2-ylpyridin-2-amine
SMILESCCC(C)Nc1ncccc1Br
InChIInChI=1S/C9H13BrN2/c1-3-7(2)12-9-8(10)5-4-6-11-9/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyOAVALGPMXFZDGG-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butan-2-ylpyridin-2-amine?
The IUPAC name of 3-bromo-N-butan-2-ylpyridin-2-amine (CID 61374838) is 3-bromo-N-butan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-butan-2-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-butan-2-ylpyridin-2-amine is CCC(C)Nc1ncccc1Br.
What is the InChIKey of 3-bromo-N-butan-2-ylpyridin-2-amine?
The InChIKey is OAVALGPMXFZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-7(2)12-9-8(10)5-4-6-11-9/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-bromo-N-butan-2-ylpyridin-2-amine?
3-bromo-N-butan-2-ylpyridin-2-amine has a molecular weight of 229.12 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butan-2-ylpyridin-2-amine is sourced from PubChem (CID 61374838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).