2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine

C15H7BrCl3NO — CID 102749474

IUPAC2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
SMILESClc1cc(Cl)c(Oc2ccc3ccccc3c2Br)nc1Cl
InChIInChI=1S/C15H7BrCl3NO/c16-13-9-4-2-1-3-8(9)5-6-12(13)21-15-11(18)7-10(17)14(19)20-15/h1-7H
InChIKeySTAAUOZQALVOJF-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.75
Rot. Bonds2

About 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine

2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine (PubChem CID 102749474) has the molecular formula C15H7BrCl3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
PubChem CID102749474
Molecular FormulaC15H7BrCl3NO
Molecular Weight403.49 g/mol
Exact Mass400.88
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
SMILESClc1cc(Cl)c(Oc2ccc3ccccc3c2Br)nc1Cl
InChIInChI=1S/C15H7BrCl3NO/c16-13-9-4-2-1-3-8(9)5-6-12(13)21-15-11(18)7-10(17)14(19)20-15/h1-7H
InChIKeySTAAUOZQALVOJF-UHFFFAOYSA-N
XLogP6.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.75
H-Bond Donors ≤ 50
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 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine (CID 102749474) is 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine is Clc1cc(Cl)c(Oc2ccc3ccccc3c2Br)nc1Cl.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine?
The InChIKey is STAAUOZQALVOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl3NO/c16-13-9-4-2-1-3-8(9)5-6-12(13)21-15-11(18)7-10(17)14(19)20-15/h1-7H.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine?
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine has a molecular weight of 403.49 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine is sourced from PubChem (CID 102749474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).