3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine

C10H13BrN2 — CID 106191508

IUPAC3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
SMILESCC(C)=CCNc1ncccc1Br
InChIInChI=1S/C10H13BrN2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyKSNWXKWJKSPBMP-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.22
Rot. Bonds3

About 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine

3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine (PubChem CID 106191508) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
PubChem CID106191508
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine
SMILESCC(C)=CCNc1ncccc1Br
InChIInChI=1S/C10H13BrN2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyKSNWXKWJKSPBMP-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine (CID 106191508) is 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine is CC(C)=CCNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine?
The InChIKey is KSNWXKWJKSPBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine?
3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine has a molecular weight of 241.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylbut-2-enyl)pyridin-2-amine is sourced from PubChem (CID 106191508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).