4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol

C11H13BrFNO — CID 84810264

IUPAC4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
SMILESOc1ccc(Br)c(F)c1CC1CCNC1
InChIInChI=1S/C11H13BrFNO/c12-9-1-2-10(15)8(11(9)13)5-7-3-4-14-6-7/h1-2,7,14-15H,3-6H2
InChIKeyLVMRBUNACBTUJM-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol

4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol (PubChem CID 84810264) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
PubChem CID84810264
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
SMILESOc1ccc(Br)c(F)c1CC1CCNC1
InChIInChI=1S/C11H13BrFNO/c12-9-1-2-10(15)8(11(9)13)5-7-3-4-14-6-7/h1-2,7,14-15H,3-6H2
InChIKeyLVMRBUNACBTUJM-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
4-bromo-3,5-difluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84814975
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037
4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol
CID 84786785
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol?
The IUPAC name of 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol (CID 84810264) is 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol.
What is the SMILES notation for 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol?
The canonical SMILES for 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol is Oc1ccc(Br)c(F)c1CC1CCNC1.
What is the InChIKey of 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol?
The InChIKey is LVMRBUNACBTUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-1-2-10(15)8(11(9)13)5-7-3-4-14-6-7/h1-2,7,14-15H,3-6H2.
What are the key properties of 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol?
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol has a molecular weight of 274.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol is sourced from PubChem (CID 84810264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).