2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine

C15H14BrF2NO — CID 66454217

IUPAC2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14BrF2NO/c1-10(13-4-2-3-9-19-13)14(16)11-5-7-12(8-6-11)20-15(17)18/h2-10,14-15H,1H3
InChIKeyAFZJMVVEKVSCOF-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.92
Rot. Bonds5

About 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine

2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine (PubChem CID 66454217) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
PubChem CID66454217
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14BrF2NO/c1-10(13-4-2-3-9-19-13)14(16)11-5-7-12(8-6-11)20-15(17)18/h2-10,14-15H,1H3
InChIKeyAFZJMVVEKVSCOF-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-2-ylethylamino)ethanol
CID 110902098
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
CID 114561364
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine (CID 66454217) is 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine?
The InChIKey is AFZJMVVEKVSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-10(13-4-2-3-9-19-13)14(16)11-5-7-12(8-6-11)20-15(17)18/h2-10,14-15H,1H3.
What are the key properties of 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine?
2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine has a molecular weight of 342.18 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine is sourced from PubChem (CID 66454217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).