6-bromo-N,N-diethylpyridin-2-amine

C9H13BrN2 — CID 18696589

IUPAC6-bromo-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1cccc(Br)n1
InChIInChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3
InChIKeyBACITTGULZNNGC-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.69
Rot. Bonds3

About 6-bromo-N,N-diethylpyridin-2-amine

6-bromo-N,N-diethylpyridin-2-amine (PubChem CID 18696589) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 6-bromo-N,N-diethylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-diethylpyridin-2-amine
PubChem CID18696589
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name6-bromo-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1cccc(Br)n1
InChIInChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3
InChIKeyBACITTGULZNNGC-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.69
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 6-bromo-N,N-diethylpyridin-2-amine?
The IUPAC name of 6-bromo-N,N-diethylpyridin-2-amine (CID 18696589) is 6-bromo-N,N-diethylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N,N-diethylpyridin-2-amine?
The canonical SMILES for 6-bromo-N,N-diethylpyridin-2-amine is CCN(CC)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N,N-diethylpyridin-2-amine?
The InChIKey is BACITTGULZNNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-bromo-N,N-diethylpyridin-2-amine?
6-bromo-N,N-diethylpyridin-2-amine has a molecular weight of 229.12 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethylpyridin-2-amine is sourced from PubChem (CID 18696589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).