3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine

C11H14BrClN2 — CID 130556048

IUPAC3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine
SMILESCC1(C)CCC1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2/c1-11(2)4-3-9(11)15-10-8(12)5-7(13)6-14-10/h5-6,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyOAPAHLOULGLITF-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.10
Rot. Bonds2

About 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine

3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine (PubChem CID 130556048) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine
PubChem CID130556048
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine
SMILESCC1(C)CCC1Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2/c1-11(2)4-3-9(11)15-10-8(12)5-7(13)6-14-10/h5-6,9H,3-4H2,1-2H3,(H,14,15)
InChIKeyOAPAHLOULGLITF-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine (CID 130556048) is 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine is CC1(C)CCC1Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine?
The InChIKey is OAPAHLOULGLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-11(2)4-3-9(11)15-10-8(12)5-7(13)6-14-10/h5-6,9H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine?
3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine has a molecular weight of 289.60 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine is sourced from PubChem (CID 130556048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).