5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine

C14H13BrFNO — CID 114047816

IUPAC5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1ccccc1Oc1ncc(Br)cc1F
InChIInChI=1S/C14H13BrFNO/c1-9(2)11-5-3-4-6-13(11)18-14-12(16)7-10(15)8-17-14/h3-9H,1-2H3
InChIKeyKWPNDOPIAKZLGC-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.90
Rot. Bonds3

About 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine

5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine (PubChem CID 114047816) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine
PubChem CID114047816
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1ccccc1Oc1ncc(Br)cc1F
InChIInChI=1S/C14H13BrFNO/c1-9(2)11-5-3-4-6-13(11)18-14-12(16)7-10(15)8-17-14/h3-9H,1-2H3
InChIKeyKWPNDOPIAKZLGC-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenol
CID 114047343
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
3-bromo-4-methyl-2-(2-propan-2-ylphenoxy)pyridine
CID 106877787
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
[5-bromo-2-(2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62298344
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
5-chloro-2-(2-propan-2-ylphenoxy)pyridine
CID 66234112
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
5-bromo-4-(2-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114676052
5-bromo-2-methoxy-3-phenoxypyridine
CID 165374137
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine (CID 114047816) is 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine is CC(C)c1ccccc1Oc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine?
The InChIKey is KWPNDOPIAKZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(2)11-5-3-4-6-13(11)18-14-12(16)7-10(15)8-17-14/h3-9H,1-2H3.
What are the key properties of 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine?
5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine has a molecular weight of 310.17 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-(2-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 114047816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).