5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine

C11H16BrFN2 — CID 106329358

IUPAC5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2/c1-4-11(3,5-2)15-10-9(13)6-8(12)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMWWQIGXXYUBXDW-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.97
Rot. Bonds4

About 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine

5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine (PubChem CID 106329358) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
PubChem CID106329358
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC Name5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2/c1-4-11(3,5-2)15-10-9(13)6-8(12)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMWWQIGXXYUBXDW-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine (CID 106329358) is 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine is CCC(C)(CC)Nc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The InChIKey is MWWQIGXXYUBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-4-11(3,5-2)15-10-9(13)6-8(12)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine has a molecular weight of 275.16 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 106329358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).