3-bromo-5-cyclobutylpyridin-2-amine

C9H11BrN2 — CID 119056910

IUPAC3-bromo-5-cyclobutylpyridin-2-amine
SMILESNc1ncc(C2CCC2)cc1Br
InChIInChI=1S/C9H11BrN2/c10-8-4-7(5-12-9(8)11)6-2-1-3-6/h4-6H,1-3H2,(H2,11,12)
InChIKeyOKCDSBJYSZLAKJ-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.69
Rot. Bonds1

About 3-bromo-5-cyclobutylpyridin-2-amine

3-bromo-5-cyclobutylpyridin-2-amine (PubChem CID 119056910) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-bromo-5-cyclobutylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-cyclobutylpyridin-2-amine
PubChem CID119056910
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name3-bromo-5-cyclobutylpyridin-2-amine
SMILESNc1ncc(C2CCC2)cc1Br
InChIInChI=1S/C9H11BrN2/c10-8-4-7(5-12-9(8)11)6-2-1-3-6/h4-6H,1-3H2,(H2,11,12)
InChIKeyOKCDSBJYSZLAKJ-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclobutylpyridin-2-amine?
The IUPAC name of 3-bromo-5-cyclobutylpyridin-2-amine (CID 119056910) is 3-bromo-5-cyclobutylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-cyclobutylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-cyclobutylpyridin-2-amine is Nc1ncc(C2CCC2)cc1Br.
What is the InChIKey of 3-bromo-5-cyclobutylpyridin-2-amine?
The InChIKey is OKCDSBJYSZLAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-8-4-7(5-12-9(8)11)6-2-1-3-6/h4-6H,1-3H2,(H2,11,12).
What are the key properties of 3-bromo-5-cyclobutylpyridin-2-amine?
3-bromo-5-cyclobutylpyridin-2-amine has a molecular weight of 227.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclobutylpyridin-2-amine is sourced from PubChem (CID 119056910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).