3,5-dibromo-N,N-diethylpyridin-4-amine

C9H12Br2N2 — CID 22715019

IUPAC3,5-dibromo-N,N-diethylpyridin-4-amine
SMILESCCN(CC)c1c(Br)cncc1Br
InChIInChI=1S/C9H12Br2N2/c1-3-13(4-2)9-7(10)5-12-6-8(9)11/h5-6H,3-4H2,1-2H3
InChIKeyPZDMZOVZJDDAGS-UHFFFAOYSA-N
MW308.02 g/mol
LogP3.45
Rot. Bonds3

About 3,5-dibromo-N,N-diethylpyridin-4-amine

3,5-dibromo-N,N-diethylpyridin-4-amine (PubChem CID 22715019) has the molecular formula C9H12Br2N2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 3,5-dibromo-N,N-diethylpyridin-4-amine.

Molecular Properties

Compound Name3,5-dibromo-N,N-diethylpyridin-4-amine
PubChem CID22715019
Molecular FormulaC9H12Br2N2
Molecular Weight308.02 g/mol
Exact Mass305.94
IUPAC Name3,5-dibromo-N,N-diethylpyridin-4-amine
SMILESCCN(CC)c1c(Br)cncc1Br
InChIInChI=1S/C9H12Br2N2/c1-3-13(4-2)9-7(10)5-12-6-8(9)11/h5-6H,3-4H2,1-2H3
InChIKeyPZDMZOVZJDDAGS-UHFFFAOYSA-N
XLogP3.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N,N-diethylpyridin-4-amine?
The IUPAC name of 3,5-dibromo-N,N-diethylpyridin-4-amine (CID 22715019) is 3,5-dibromo-N,N-diethylpyridin-4-amine.
What is the SMILES notation for 3,5-dibromo-N,N-diethylpyridin-4-amine?
The canonical SMILES for 3,5-dibromo-N,N-diethylpyridin-4-amine is CCN(CC)c1c(Br)cncc1Br.
What is the InChIKey of 3,5-dibromo-N,N-diethylpyridin-4-amine?
The InChIKey is PZDMZOVZJDDAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2/c1-3-13(4-2)9-7(10)5-12-6-8(9)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,5-dibromo-N,N-diethylpyridin-4-amine?
3,5-dibromo-N,N-diethylpyridin-4-amine has a molecular weight of 308.02 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N,N-diethylpyridin-4-amine is sourced from PubChem (CID 22715019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).