3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine

C8H6BrF4NO — CID 158842641

IUPAC3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine
SMILESCC(F)(F)C(F)(F)Oc1cncc(Br)c1
InChIInChI=1S/C8H6BrF4NO/c1-7(10,11)8(12,13)15-6-2-5(9)3-14-4-6/h2-4H,1H3
InChIKeyIYLAGPMIOFQCMC-UHFFFAOYSA-N
MW288.04 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine

3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine (PubChem CID 158842641) has the molecular formula C8H6BrF4NO and a molecular weight of 288.04 g/mol. Its IUPAC name is 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine
PubChem CID158842641
Molecular FormulaC8H6BrF4NO
Molecular Weight288.04 g/mol
Exact Mass286.96
IUPAC Name3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine
SMILESCC(F)(F)C(F)(F)Oc1cncc(Br)c1
InChIInChI=1S/C8H6BrF4NO/c1-7(10,11)8(12,13)15-6-2-5(9)3-14-4-6/h2-4H,1H3
InChIKeyIYLAGPMIOFQCMC-UHFFFAOYSA-N
XLogP3.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(1,2,2,2-tetrafluoroethoxy)pyridine
CID 175443421
3-bromo-5-(2-fluoropropan-2-yl)pyridine
CID 131618037
3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine
CID 113497399
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutan-1-amine
CID 65249343
1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol
CID 151263552
5-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylpentanenitrile
CID 65255798
4-[(5-bromo-3-pyridinyl)oxy]-2,2-dimethylbutanoic acid
CID 65248045
(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933139
(2R)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933138
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine?
The IUPAC name of 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine (CID 158842641) is 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine.
What is the SMILES notation for 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine?
The canonical SMILES for 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine is CC(F)(F)C(F)(F)Oc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine?
The InChIKey is IYLAGPMIOFQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF4NO/c1-7(10,11)8(12,13)15-6-2-5(9)3-14-4-6/h2-4H,1H3.
What are the key properties of 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine?
3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine has a molecular weight of 288.04 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine is sourced from PubChem (CID 158842641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).