2-(5-bromo-2-pyridinyl)aniline

C11H9BrN2 — CID 130114483

IUPAC2-(5-bromo-2-pyridinyl)aniline
SMILESNc1ccccc1-c1ccc(Br)cn1
InChIInChI=1S/C11H9BrN2/c12-8-5-6-11(14-7-8)9-3-1-2-4-10(9)13/h1-7H,13H2
InChIKeyRCWDGGFXYAIXRB-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.09
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)aniline

2-(5-bromo-2-pyridinyl)aniline (PubChem CID 130114483) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)aniline.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)aniline
PubChem CID130114483
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-(5-bromo-2-pyridinyl)aniline
SMILESNc1ccccc1-c1ccc(Br)cn1
InChIInChI=1S/C11H9BrN2/c12-8-5-6-11(14-7-8)9-3-1-2-4-10(9)13/h1-7H,13H2
InChIKeyRCWDGGFXYAIXRB-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.09
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-(5-bromo-2-pyridinyl)aniline?
The IUPAC name of 2-(5-bromo-2-pyridinyl)aniline (CID 130114483) is 2-(5-bromo-2-pyridinyl)aniline.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)aniline?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)aniline is Nc1ccccc1-c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)aniline?
The InChIKey is RCWDGGFXYAIXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-8-5-6-11(14-7-8)9-3-1-2-4-10(9)13/h1-7H,13H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)aniline?
2-(5-bromo-2-pyridinyl)aniline has a molecular weight of 249.11 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)aniline is sourced from PubChem (CID 130114483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).