6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine

C17H13BrN2O — CID 63960879

IUPAC6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
SMILESBrc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C17H13BrN2O/c18-16-7-4-8-17(20-16)19-13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-12H,(H,19,20)
InChIKeyQFKTUKVTYQEXEB-UHFFFAOYSA-N
MW341.21 g/mol
LogP5.38
Rot. Bonds4

About 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine

6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine (PubChem CID 63960879) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
PubChem CID63960879
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
SMILESBrc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C17H13BrN2O/c18-16-7-4-8-17(20-16)19-13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-12H,(H,19,20)
InChIKeyQFKTUKVTYQEXEB-UHFFFAOYSA-N
XLogP5.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.21
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-phenoxyphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine (CID 63960879) is 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine is Brc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine?
The InChIKey is QFKTUKVTYQEXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-16-7-4-8-17(20-16)19-13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-12H,(H,19,20).
What are the key properties of 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine?
6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine has a molecular weight of 341.21 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 63960879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).