3-bromo-N-phenylpyridin-4-amine

C11H9BrN2 — CID 10634327

IUPAC3-bromo-N-phenylpyridin-4-amine
SMILESBrc1cnccc1Nc1ccccc1
InChIInChI=1S/C11H9BrN2/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyIAMYJFMOWMYRSI-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.59
Rot. Bonds2

About 3-bromo-N-phenylpyridin-4-amine

3-bromo-N-phenylpyridin-4-amine (PubChem CID 10634327) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 3-bromo-N-phenylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-phenylpyridin-4-amine
PubChem CID10634327
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name3-bromo-N-phenylpyridin-4-amine
SMILESBrc1cnccc1Nc1ccccc1
InChIInChI=1S/C11H9BrN2/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyIAMYJFMOWMYRSI-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenylpyridin-4-amine?
The IUPAC name of 3-bromo-N-phenylpyridin-4-amine (CID 10634327) is 3-bromo-N-phenylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-phenylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-phenylpyridin-4-amine is Brc1cnccc1Nc1ccccc1.
What is the InChIKey of 3-bromo-N-phenylpyridin-4-amine?
The InChIKey is IAMYJFMOWMYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c12-10-8-13-7-6-11(10)14-9-4-2-1-3-5-9/h1-8H,(H,13,14).
What are the key properties of 3-bromo-N-phenylpyridin-4-amine?
3-bromo-N-phenylpyridin-4-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 3-bromo-N-phenylpyridin-4-amine is sourced from PubChem (CID 10634327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).