3-bromo-N,N-diethylpyridin-2-amine

C9H13BrN2 — CID 61374664

IUPAC3-bromo-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1ncccc1Br
InChIInChI=1S/C9H13BrN2/c1-3-12(4-2)9-8(10)6-5-7-11-9/h5-7H,3-4H2,1-2H3
InChIKeyXOYWQNPWRSICPS-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.69
Rot. Bonds3

About 3-bromo-N,N-diethylpyridin-2-amine

3-bromo-N,N-diethylpyridin-2-amine (PubChem CID 61374664) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 3-bromo-N,N-diethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,N-diethylpyridin-2-amine
PubChem CID61374664
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name3-bromo-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1ncccc1Br
InChIInChI=1S/C9H13BrN2/c1-3-12(4-2)9-8(10)6-5-7-11-9/h5-7H,3-4H2,1-2H3
InChIKeyXOYWQNPWRSICPS-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-diethylpyridin-2-amine?
The IUPAC name of 3-bromo-N,N-diethylpyridin-2-amine (CID 61374664) is 3-bromo-N,N-diethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N,N-diethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N,N-diethylpyridin-2-amine is CCN(CC)c1ncccc1Br.
What is the InChIKey of 3-bromo-N,N-diethylpyridin-2-amine?
The InChIKey is XOYWQNPWRSICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-12(4-2)9-8(10)6-5-7-11-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-bromo-N,N-diethylpyridin-2-amine?
3-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 3-bromo-N,N-diethylpyridin-2-amine is sourced from PubChem (CID 61374664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).