5-bromo-2-hydroxy-4-methylbenzonitrile

C8H6BrNO — CID 67186294

IUPAC5-bromo-2-hydroxy-4-methylbenzonitrile
SMILESCc1cc(O)c(C#N)cc1Br
InChIInChI=1S/C8H6BrNO/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3,11H,1H3
InChIKeyTYLWGQOYOPWHQE-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.33
Rot. Bonds

About 5-bromo-2-hydroxy-4-methylbenzonitrile

5-bromo-2-hydroxy-4-methylbenzonitrile (PubChem CID 67186294) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-4-methylbenzonitrile.

Molecular Properties

Compound Name5-bromo-2-hydroxy-4-methylbenzonitrile
PubChem CID67186294
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name5-bromo-2-hydroxy-4-methylbenzonitrile
SMILESCc1cc(O)c(C#N)cc1Br
InChIInChI=1S/C8H6BrNO/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3,11H,1H3
InChIKeyTYLWGQOYOPWHQE-UHFFFAOYSA-N
XLogP2.33
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-4-methylbenzonitrile?
The IUPAC name of 5-bromo-2-hydroxy-4-methylbenzonitrile (CID 67186294) is 5-bromo-2-hydroxy-4-methylbenzonitrile.
What is the SMILES notation for 5-bromo-2-hydroxy-4-methylbenzonitrile?
The canonical SMILES for 5-bromo-2-hydroxy-4-methylbenzonitrile is Cc1cc(O)c(C#N)cc1Br.
What is the InChIKey of 5-bromo-2-hydroxy-4-methylbenzonitrile?
The InChIKey is TYLWGQOYOPWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3,11H,1H3.
What are the key properties of 5-bromo-2-hydroxy-4-methylbenzonitrile?
5-bromo-2-hydroxy-4-methylbenzonitrile has a molecular weight of 212.05 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-4-methylbenzonitrile is sourced from PubChem (CID 67186294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).