6-bromo-N,N-dibutylpyridin-2-amine

C13H21BrN2 — CID 63961710

IUPAC6-bromo-N,N-dibutylpyridin-2-amine
SMILESCCCCN(CCCC)c1cccc(Br)n1
InChIInChI=1S/C13H21BrN2/c1-3-5-10-16(11-6-4-2)13-9-7-8-12(14)15-13/h7-9H,3-6,10-11H2,1-2H3
InChIKeyWIWZRRPBOKHGTR-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.25
Rot. Bonds7

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

6-bromo-N,N-dibutylpyridin-2-amine (PubChem CID 63961710) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 6-bromo-N,N-dibutylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-dibutylpyridin-2-amine
PubChem CID63961710
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name6-bromo-N,N-dibutylpyridin-2-amine
SMILESCCCCN(CCCC)c1cccc(Br)n1
InChIInChI=1S/C13H21BrN2/c1-3-5-10-16(11-6-4-2)13-9-7-8-12(14)15-13/h7-9H,3-6,10-11H2,1-2H3
InChIKeyWIWZRRPBOKHGTR-UHFFFAOYSA-N
XLogP4.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.25
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-dibutylpyridin-2-amine?
The IUPAC name of 6-bromo-N,N-dibutylpyridin-2-amine (CID 63961710) is 6-bromo-N,N-dibutylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N,N-dibutylpyridin-2-amine?
The canonical SMILES for 6-bromo-N,N-dibutylpyridin-2-amine is CCCCN(CCCC)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N,N-dibutylpyridin-2-amine?
The InChIKey is WIWZRRPBOKHGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-5-10-16(11-6-4-2)13-9-7-8-12(14)15-13/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of 6-bromo-N,N-dibutylpyridin-2-amine?
6-bromo-N,N-dibutylpyridin-2-amine has a molecular weight of 285.23 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dibutylpyridin-2-amine is sourced from PubChem (CID 63961710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).