2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine

C15H15BrFNO — CID 170747064

IUPAC2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine
SMILESCC(C)c1ccc(OCc2ccccn2)c(Br)c1F
InChIInChI=1S/C15H15BrFNO/c1-10(2)12-6-7-13(14(16)15(12)17)19-9-11-5-3-4-8-18-11/h3-8,10H,9H2,1-2H3
InChIKeyWIHMZTNPSNROBS-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.69
Rot. Bonds4

About 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine

2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine (PubChem CID 170747064) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine
PubChem CID170747064
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine
SMILESCC(C)c1ccc(OCc2ccccn2)c(Br)c1F
InChIInChI=1S/C15H15BrFNO/c1-10(2)12-6-7-13(14(16)15(12)17)19-9-11-5-3-4-8-18-11/h3-8,10H,9H2,1-2H3
InChIKeyWIHMZTNPSNROBS-UHFFFAOYSA-N
XLogP4.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
(1S)-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanol
CID 55190234
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 103524557
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
CID 137421499
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425
pyridin-2-ylmethyl hypoiodite
CID 67567753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine?
The IUPAC name of 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine (CID 170747064) is 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine?
The canonical SMILES for 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine is CC(C)c1ccc(OCc2ccccn2)c(Br)c1F.
What is the InChIKey of 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine?
The InChIKey is WIHMZTNPSNROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(2)12-6-7-13(14(16)15(12)17)19-9-11-5-3-4-8-18-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine?
2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine has a molecular weight of 324.19 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine is sourced from PubChem (CID 170747064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).