potassium 3,5-dibromo-4-hydroxybenzonitrile

C7H3Br2KNO+ — CID 23617900

IUPACpotassium 3,5-dibromo-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(Br)c1.[K+]
InChIInChI=1S/C7H3Br2NO.K/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1
InChIKeyHKSBGIRAPYUOPP-UHFFFAOYSA-N
MW316.01 g/mol
LogP-0.21
Rot. Bonds

About potassium 3,5-dibromo-4-hydroxybenzonitrile

potassium 3,5-dibromo-4-hydroxybenzonitrile (PubChem CID 23617900) has the molecular formula C7H3Br2KNO+ and a molecular weight of 316.01 g/mol. Its IUPAC name is potassium 3,5-dibromo-4-hydroxybenzonitrile.

Molecular Properties

Compound Namepotassium 3,5-dibromo-4-hydroxybenzonitrile
PubChem CID23617900
Molecular FormulaC7H3Br2KNO+
Molecular Weight316.01 g/mol
Exact Mass313.82
IUPAC Namepotassium 3,5-dibromo-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(Br)c1.[K+]
InChIInChI=1S/C7H3Br2NO.K/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1
InChIKeyHKSBGIRAPYUOPP-UHFFFAOYSA-N
XLogP-0.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.01
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium 3,5-dibromo-4-hydroxybenzonitrile?
The IUPAC name of potassium 3,5-dibromo-4-hydroxybenzonitrile (CID 23617900) is potassium 3,5-dibromo-4-hydroxybenzonitrile.
What is the SMILES notation for potassium 3,5-dibromo-4-hydroxybenzonitrile?
The canonical SMILES for potassium 3,5-dibromo-4-hydroxybenzonitrile is N#Cc1cc(Br)c(O)c(Br)c1.[K+].
What is the InChIKey of potassium 3,5-dibromo-4-hydroxybenzonitrile?
The InChIKey is HKSBGIRAPYUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO.K/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1.
What are the key properties of potassium 3,5-dibromo-4-hydroxybenzonitrile?
potassium 3,5-dibromo-4-hydroxybenzonitrile has a molecular weight of 316.01 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,5-dibromo-4-hydroxybenzonitrile is sourced from PubChem (CID 23617900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).