2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine

C17H12Br2FNO — CID 139121028

IUPAC2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine
SMILESFC(Br)(Br)[C@@H](Oc1ccccn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12Br2FNO/c18-17(19,20)16(22-15-7-3-4-10-21-15)14-9-8-12-5-1-2-6-13(12)11-14/h1-11,16H/t16-/m0/s1
InChIKeyGBPZHALSUWFAQW-INIZCTEOSA-N
MW425.10 g/mol
LogP5.77
Rot. Bonds4

About 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine

2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine (PubChem CID 139121028) has the molecular formula C17H12Br2FNO and a molecular weight of 425.10 g/mol. Its IUPAC name is 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine.

Molecular Properties

Compound Name2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine
PubChem CID139121028
Molecular FormulaC17H12Br2FNO
Molecular Weight425.10 g/mol
Exact Mass422.93
IUPAC Name2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine
SMILESFC(Br)(Br)[C@@H](Oc1ccccn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12Br2FNO/c18-17(19,20)16(22-15-7-3-4-10-21-15)14-9-8-12-5-1-2-6-13(12)11-14/h1-11,16H/t16-/m0/s1
InChIKeyGBPZHALSUWFAQW-INIZCTEOSA-N
XLogP5.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.10
LogP ≤ 55.77
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 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine?
The IUPAC name of 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine (CID 139121028) is 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine.
What is the SMILES notation for 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine?
The canonical SMILES for 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine is FC(Br)(Br)[C@@H](Oc1ccccn1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine?
The InChIKey is GBPZHALSUWFAQW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H12Br2FNO/c18-17(19,20)16(22-15-7-3-4-10-21-15)14-9-8-12-5-1-2-6-13(12)11-14/h1-11,16H/t16-/m0/s1.
What are the key properties of 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine?
2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine has a molecular weight of 425.10 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-dibromo-2-fluoro-1-naphthalen-2-ylethoxy]pyridine is sourced from PubChem (CID 139121028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).