2-bromo-6-(1H-pyrazol-5-yl)phenol

C9H7BrN2O — CID 137275779

IUPAC2-bromo-6-(1H-pyrazol-5-yl)phenol
SMILESOc1c(Br)cccc1-c1ccn[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-2-6(9(7)13)8-4-5-11-12-8/h1-5,13H,(H,11,12)
InChIKeyIWXTYCTUTXZYSL-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.54
Rot. Bonds1

About 2-bromo-6-(1H-pyrazol-5-yl)phenol

2-bromo-6-(1H-pyrazol-5-yl)phenol (PubChem CID 137275779) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-bromo-6-(1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-bromo-6-(1H-pyrazol-5-yl)phenol
PubChem CID137275779
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-bromo-6-(1H-pyrazol-5-yl)phenol
SMILESOc1c(Br)cccc1-c1ccn[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-2-6(9(7)13)8-4-5-11-12-8/h1-5,13H,(H,11,12)
InChIKeyIWXTYCTUTXZYSL-UHFFFAOYSA-N
XLogP2.54
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1H-pyrazol-5-yl)phenol?
The IUPAC name of 2-bromo-6-(1H-pyrazol-5-yl)phenol (CID 137275779) is 2-bromo-6-(1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 2-bromo-6-(1H-pyrazol-5-yl)phenol?
The canonical SMILES for 2-bromo-6-(1H-pyrazol-5-yl)phenol is Oc1c(Br)cccc1-c1ccn[nH]1.
What is the InChIKey of 2-bromo-6-(1H-pyrazol-5-yl)phenol?
The InChIKey is IWXTYCTUTXZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-1-2-6(9(7)13)8-4-5-11-12-8/h1-5,13H,(H,11,12).
What are the key properties of 2-bromo-6-(1H-pyrazol-5-yl)phenol?
2-bromo-6-(1H-pyrazol-5-yl)phenol has a molecular weight of 239.07 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 137275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).