2-bromo-N,6-dimethylpyridin-3-amine

C7H9BrN2 — CID 129150777

IUPAC2-bromo-N,6-dimethylpyridin-3-amine
SMILESCNc1ccc(C)nc1Br
InChIInChI=1S/C7H9BrN2/c1-5-3-4-6(9-2)7(8)10-5/h3-4,9H,1-2H3
InChIKeySTDZCSBVWHQEQP-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.19
Rot. Bonds1

About 2-bromo-N,6-dimethylpyridin-3-amine

2-bromo-N,6-dimethylpyridin-3-amine (PubChem CID 129150777) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-bromo-N,6-dimethylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N,6-dimethylpyridin-3-amine
PubChem CID129150777
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-bromo-N,6-dimethylpyridin-3-amine
SMILESCNc1ccc(C)nc1Br
InChIInChI=1S/C7H9BrN2/c1-5-3-4-6(9-2)7(8)10-5/h3-4,9H,1-2H3
InChIKeySTDZCSBVWHQEQP-UHFFFAOYSA-N
XLogP2.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,6-dimethylpyridin-3-amine?
The IUPAC name of 2-bromo-N,6-dimethylpyridin-3-amine (CID 129150777) is 2-bromo-N,6-dimethylpyridin-3-amine.
What is the SMILES notation for 2-bromo-N,6-dimethylpyridin-3-amine?
The canonical SMILES for 2-bromo-N,6-dimethylpyridin-3-amine is CNc1ccc(C)nc1Br.
What is the InChIKey of 2-bromo-N,6-dimethylpyridin-3-amine?
The InChIKey is STDZCSBVWHQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-5-3-4-6(9-2)7(8)10-5/h3-4,9H,1-2H3.
What are the key properties of 2-bromo-N,6-dimethylpyridin-3-amine?
2-bromo-N,6-dimethylpyridin-3-amine has a molecular weight of 201.07 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,6-dimethylpyridin-3-amine is sourced from PubChem (CID 129150777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).