2,6-dibromo-4-pyridin-4-ylaniline

C11H8Br2N2 — CID 156546882

IUPAC2,6-dibromo-4-pyridin-4-ylaniline
SMILESNc1c(Br)cc(-c2ccncc2)cc1Br
InChIInChI=1S/C11H8Br2N2/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h1-6H,14H2
InChIKeyHCXQQPNTFCPYSW-UHFFFAOYSA-N
MW328.01 g/mol
LogP3.86
Rot. Bonds1

About 2,6-dibromo-4-pyridin-4-ylaniline

2,6-dibromo-4-pyridin-4-ylaniline (PubChem CID 156546882) has the molecular formula C11H8Br2N2 and a molecular weight of 328.01 g/mol. Its IUPAC name is 2,6-dibromo-4-pyridin-4-ylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-pyridin-4-ylaniline
PubChem CID156546882
Molecular FormulaC11H8Br2N2
Molecular Weight328.01 g/mol
Exact Mass325.91
IUPAC Name2,6-dibromo-4-pyridin-4-ylaniline
SMILESNc1c(Br)cc(-c2ccncc2)cc1Br
InChIInChI=1S/C11H8Br2N2/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h1-6H,14H2
InChIKeyHCXQQPNTFCPYSW-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.01
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-pyridin-4-ylaniline?
The IUPAC name of 2,6-dibromo-4-pyridin-4-ylaniline (CID 156546882) is 2,6-dibromo-4-pyridin-4-ylaniline.
What is the SMILES notation for 2,6-dibromo-4-pyridin-4-ylaniline?
The canonical SMILES for 2,6-dibromo-4-pyridin-4-ylaniline is Nc1c(Br)cc(-c2ccncc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-pyridin-4-ylaniline?
The InChIKey is HCXQQPNTFCPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h1-6H,14H2.
What are the key properties of 2,6-dibromo-4-pyridin-4-ylaniline?
2,6-dibromo-4-pyridin-4-ylaniline has a molecular weight of 328.01 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-pyridin-4-ylaniline is sourced from PubChem (CID 156546882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).