5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine

C15H18BrF2NO2 — CID 169267521

IUPAC5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine
SMILESFC1(F)CC(COC2CCCCO2)(c2ccc(Br)cn2)C1
InChIInChI=1S/C15H18BrF2NO2/c16-11-4-5-12(19-7-11)14(8-15(17,18)9-14)10-21-13-3-1-2-6-20-13/h4-5,7,13H,1-3,6,8-10H2
InChIKeyDUNTWEHJRZZRIT-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.05
Rot. Bonds4

About 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine

5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine (PubChem CID 169267521) has the molecular formula C15H18BrF2NO2 and a molecular weight of 362.21 g/mol. Its IUPAC name is 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine
PubChem CID169267521
Molecular FormulaC15H18BrF2NO2
Molecular Weight362.21 g/mol
Exact Mass361.05
IUPAC Name5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine
SMILESFC1(F)CC(COC2CCCCO2)(c2ccc(Br)cn2)C1
InChIInChI=1S/C15H18BrF2NO2/c16-11-4-5-12(19-7-11)14(8-15(17,18)9-14)10-21-13-3-1-2-6-20-13/h4-5,7,13H,1-3,6,8-10H2
InChIKeyDUNTWEHJRZZRIT-UHFFFAOYSA-N
XLogP4.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
[1-(5-bromo-2-pyridinyl)-3,3-difluorocyclobutyl]methanol
CID 169267474
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol
CID 69166040
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
2-(5-bromo-2-pyridinyl)-4-(oxan-2-yloxy)butanenitrile;2-(5-bromo-2-pyridinyl)-4-(oxan-2-yloxy)butanoic acid
CID 159439430
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine?
The IUPAC name of 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine (CID 169267521) is 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine.
What is the SMILES notation for 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine?
The canonical SMILES for 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine is FC1(F)CC(COC2CCCCO2)(c2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine?
The InChIKey is DUNTWEHJRZZRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2NO2/c16-11-4-5-12(19-7-11)14(8-15(17,18)9-14)10-21-13-3-1-2-6-20-13/h4-5,7,13H,1-3,6,8-10H2.
What are the key properties of 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine?
5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine has a molecular weight of 362.21 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine is sourced from PubChem (CID 169267521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).