5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine

C16H11Br2NO — CID 107087262

IUPAC5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
SMILESBrCc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1
InChIInChI=1S/C16H11Br2NO/c17-9-11-1-6-16(19-10-11)20-15-5-3-12-7-14(18)4-2-13(12)8-15/h1-8,10H,9H2
InChIKeyXKPRFNBQMUPGMX-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.68
Rot. Bonds3

About 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine

5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine (PubChem CID 107087262) has the molecular formula C16H11Br2NO and a molecular weight of 393.08 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
PubChem CID107087262
Molecular FormulaC16H11Br2NO
Molecular Weight393.08 g/mol
Exact Mass390.92
IUPAC Name5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
SMILESBrCc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1
InChIInChI=1S/C16H11Br2NO/c17-9-11-1-6-16(19-10-11)20-15-5-3-12-7-14(18)4-2-13(12)8-15/h1-8,10H,9H2
InChIKeyXKPRFNBQMUPGMX-UHFFFAOYSA-N
XLogP5.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine?
The IUPAC name of 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine (CID 107087262) is 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine?
The canonical SMILES for 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine is BrCc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1.
What is the InChIKey of 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine?
The InChIKey is XKPRFNBQMUPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO/c17-9-11-1-6-16(19-10-11)20-15-5-3-12-7-14(18)4-2-13(12)8-15/h1-8,10H,9H2.
What are the key properties of 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine?
5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine has a molecular weight of 393.08 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine is sourced from PubChem (CID 107087262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).