6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol

C10H10BrF2NO — CID 117445443

IUPAC6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
SMILESOc1c(Br)cc(C2CCCN2)c(F)c1F
InChIInChI=1S/C10H10BrF2NO/c11-6-4-5(7-2-1-3-14-7)8(12)9(13)10(6)15/h4,7,14-15H,1-3H2
InChIKeyOQRWBFVKSFWKIB-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.86
Rot. Bonds1

About 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol

6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol (PubChem CID 117445443) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
PubChem CID117445443
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
SMILESOc1c(Br)cc(C2CCCN2)c(F)c1F
InChIInChI=1S/C10H10BrF2NO/c11-6-4-5(7-2-1-3-14-7)8(12)9(13)10(6)15/h4,7,14-15H,1-3H2
InChIKeyOQRWBFVKSFWKIB-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131052061
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
3-bromo-4-hydroxy-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 131317777
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
CID 131482992
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
CID 117468272
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol?
The IUPAC name of 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol (CID 117445443) is 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol.
What is the SMILES notation for 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol?
The canonical SMILES for 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol is Oc1c(Br)cc(C2CCCN2)c(F)c1F.
What is the InChIKey of 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol?
The InChIKey is OQRWBFVKSFWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c11-6-4-5(7-2-1-3-14-7)8(12)9(13)10(6)15/h4,7,14-15H,1-3H2.
What are the key properties of 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol?
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol has a molecular weight of 278.10 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol is sourced from PubChem (CID 117445443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).