5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol

C11H13BrFNO2 — CID 117468272

IUPAC5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
SMILESOc1cc(Br)c(C2CCCCN2)c(F)c1O
InChIInChI=1S/C11H13BrFNO2/c12-6-5-8(15)11(16)10(13)9(6)7-3-1-2-4-14-7/h5,7,14-16H,1-4H2
InChIKeyURCIJHRWQMBDMT-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.81
Rot. Bonds1

About 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol

5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol (PubChem CID 117468272) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Name5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
PubChem CID117468272
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
SMILESOc1cc(Br)c(C2CCCCN2)c(F)c1O
InChIInChI=1S/C11H13BrFNO2/c12-6-5-8(15)11(16)10(13)9(6)7-3-1-2-4-14-7/h5,7,14-16H,1-4H2
InChIKeyURCIJHRWQMBDMT-UHFFFAOYSA-N
XLogP2.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
2-[(2S)-azetidin-2-yl]-3-bromo-5,6-difluorophenol
CID 130700324
2,4,6-tribromo-3-[(2R)-pyrrolidin-2-yl]phenol
CID 131482992
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol?
The IUPAC name of 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol (CID 117468272) is 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol.
What is the SMILES notation for 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol?
The canonical SMILES for 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol is Oc1cc(Br)c(C2CCCCN2)c(F)c1O.
What is the InChIKey of 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol?
The InChIKey is URCIJHRWQMBDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c12-6-5-8(15)11(16)10(13)9(6)7-3-1-2-4-14-7/h5,7,14-16H,1-4H2.
What are the key properties of 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol?
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol has a molecular weight of 290.13 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol is sourced from PubChem (CID 117468272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).