4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol

C10H11BrFNO — CID 84710037

IUPAC4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
SMILESOc1ccc(Br)c(F)c1C1CCNC1
InChIInChI=1S/C10H11BrFNO/c11-7-1-2-8(14)9(10(7)12)6-3-4-13-5-6/h1-2,6,13-14H,3-5H2
InChIKeyMKALFIUPNILDDQ-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.37
Rot. Bonds1

About 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol

4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol (PubChem CID 84710037) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
PubChem CID84710037
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
SMILESOc1ccc(Br)c(F)c1C1CCNC1
InChIInChI=1S/C10H11BrFNO/c11-7-1-2-8(14)9(10(7)12)6-3-4-13-5-6/h1-2,6,13-14H,3-5H2
InChIKeyMKALFIUPNILDDQ-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
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4-bromo-3-methyl-2-piperidin-4-ylphenol
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2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)pyrrolidine
CID 117116714
3-fluoro-4-methoxy-2-piperidin-4-ylphenol
CID 84790129
4-bromo-2-methoxy-3-piperidin-3-ylphenol
CID 117460905
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol?
The IUPAC name of 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol (CID 84710037) is 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol.
What is the SMILES notation for 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol?
The canonical SMILES for 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol is Oc1ccc(Br)c(F)c1C1CCNC1.
What is the InChIKey of 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol?
The InChIKey is MKALFIUPNILDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-7-1-2-8(14)9(10(7)12)6-3-4-13-5-6/h1-2,6,13-14H,3-5H2.
What are the key properties of 4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol?
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol has a molecular weight of 260.11 g/mol, XLogP of 2.37, 1 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-ylphenol is sourced from PubChem (CID 84710037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).