6-bromo-N-phenylpyridin-2-amine

C11H9BrN2 — CID 817416

IUPAC6-bromo-N-phenylpyridin-2-amine
SMILESBrc1cccc(Nc2ccccc2)n1
InChIInChI=1S/C11H9BrN2/c12-10-7-4-8-11(14-10)13-9-5-2-1-3-6-9/h1-8H,(H,13,14)
InChIKeyPSAFWPMLJQSCQJ-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.59
Rot. Bonds2

About 6-bromo-N-phenylpyridin-2-amine

6-bromo-N-phenylpyridin-2-amine (PubChem CID 817416) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 6-bromo-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-phenylpyridin-2-amine
PubChem CID817416
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name6-bromo-N-phenylpyridin-2-amine
SMILESBrc1cccc(Nc2ccccc2)n1
InChIInChI=1S/C11H9BrN2/c12-10-7-4-8-11(14-10)13-9-5-2-1-3-6-9/h1-8H,(H,13,14)
InChIKeyPSAFWPMLJQSCQJ-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.59
H-Bond Donors ≤ 51
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-phenylpyridin-2-amine?
The IUPAC name of 6-bromo-N-phenylpyridin-2-amine (CID 817416) is 6-bromo-N-phenylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-phenylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-phenylpyridin-2-amine is Brc1cccc(Nc2ccccc2)n1.
What is the InChIKey of 6-bromo-N-phenylpyridin-2-amine?
The InChIKey is PSAFWPMLJQSCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-10-7-4-8-11(14-10)13-9-5-2-1-3-6-9/h1-8H,(H,13,14).
What are the key properties of 6-bromo-N-phenylpyridin-2-amine?
6-bromo-N-phenylpyridin-2-amine has a molecular weight of 249.11 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-phenylpyridin-2-amine is sourced from PubChem (CID 817416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).