2-bromo-N,N-dimethylpyridin-4-amine

C7H9BrN2 — CID 11745678

IUPAC2-bromo-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(Br)c1
InChIInChI=1S/C7H9BrN2/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3
InChIKeyXEBMNCFTJBFRJG-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.91
Rot. Bonds1

About 2-bromo-N,N-dimethylpyridin-4-amine

2-bromo-N,N-dimethylpyridin-4-amine (PubChem CID 11745678) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 2-bromo-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-bromo-N,N-dimethylpyridin-4-amine
PubChem CID11745678
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name2-bromo-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(Br)c1
InChIInChI=1S/C7H9BrN2/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3
InChIKeyXEBMNCFTJBFRJG-UHFFFAOYSA-N
XLogP1.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
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,N-dimethylpyridin-4-amine?
The IUPAC name of 2-bromo-N,N-dimethylpyridin-4-amine (CID 11745678) is 2-bromo-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-bromo-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-bromo-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N,N-dimethylpyridin-4-amine?
The InChIKey is XEBMNCFTJBFRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3.
What are the key properties of 2-bromo-N,N-dimethylpyridin-4-amine?
2-bromo-N,N-dimethylpyridin-4-amine has a molecular weight of 201.07 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 11745678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).