3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol

C11H13BrFNO — CID 79743161

IUPAC3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cc(Br)ccc2F)C1
InChIInChI=1S/C11H13BrFNO/c1-14-5-4-11(15,7-14)9-6-8(12)2-3-10(9)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyXVFYBDVCBBSPBT-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.11
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol

3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol (PubChem CID 79743161) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
PubChem CID79743161
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cc(Br)ccc2F)C1
InChIInChI=1S/C11H13BrFNO/c1-14-5-4-11(15,7-14)9-6-8(12)2-3-10(9)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyXVFYBDVCBBSPBT-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79743506
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3-(3-bromo-2,6-difluorophenyl)-1-methylpiperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol (CID 79743161) is 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(c2cc(Br)ccc2F)C1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol?
The InChIKey is XVFYBDVCBBSPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-14-5-4-11(15,7-14)9-6-8(12)2-3-10(9)13/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol?
3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol has a molecular weight of 274.13 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 79743161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).