6-bromo-N-naphthalen-1-ylpyridin-2-amine

C15H11BrN2 — CID 63961930

IUPAC6-bromo-N-naphthalen-1-ylpyridin-2-amine
SMILESBrc1cccc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C15H11BrN2/c16-14-9-4-10-15(18-14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,17,18)
InChIKeyKPKSMDWKAIHRJV-UHFFFAOYSA-N
MW299.17 g/mol
LogP4.74
Rot. Bonds2

About 6-bromo-N-naphthalen-1-ylpyridin-2-amine

6-bromo-N-naphthalen-1-ylpyridin-2-amine (PubChem CID 63961930) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-1-ylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-naphthalen-1-ylpyridin-2-amine
PubChem CID63961930
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name6-bromo-N-naphthalen-1-ylpyridin-2-amine
SMILESBrc1cccc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C15H11BrN2/c16-14-9-4-10-15(18-14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,17,18)
InChIKeyKPKSMDWKAIHRJV-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.74
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-naphthalen-1-ylpyridin-2-amine?
The IUPAC name of 6-bromo-N-naphthalen-1-ylpyridin-2-amine (CID 63961930) is 6-bromo-N-naphthalen-1-ylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-naphthalen-1-ylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-naphthalen-1-ylpyridin-2-amine is Brc1cccc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 6-bromo-N-naphthalen-1-ylpyridin-2-amine?
The InChIKey is KPKSMDWKAIHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2/c16-14-9-4-10-15(18-14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,17,18).
What are the key properties of 6-bromo-N-naphthalen-1-ylpyridin-2-amine?
6-bromo-N-naphthalen-1-ylpyridin-2-amine has a molecular weight of 299.17 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-naphthalen-1-ylpyridin-2-amine is sourced from PubChem (CID 63961930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).