2-bromo-4-hydroxy-3-methylbenzonitrile

C8H6BrNO — CID 131627125

IUPAC2-bromo-4-hydroxy-3-methylbenzonitrile
SMILESCc1c(O)ccc(C#N)c1Br
InChIInChI=1S/C8H6BrNO/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3,11H,1H3
InChIKeyQFUNLVZAZCBQFK-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.33
Rot. Bonds

About 2-bromo-4-hydroxy-3-methylbenzonitrile

2-bromo-4-hydroxy-3-methylbenzonitrile (PubChem CID 131627125) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 2-bromo-4-hydroxy-3-methylbenzonitrile.

Molecular Properties

Compound Name2-bromo-4-hydroxy-3-methylbenzonitrile
PubChem CID131627125
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name2-bromo-4-hydroxy-3-methylbenzonitrile
SMILESCc1c(O)ccc(C#N)c1Br
InChIInChI=1S/C8H6BrNO/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3,11H,1H3
InChIKeyQFUNLVZAZCBQFK-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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Related Compounds

3,6-dihydroxy-2-methylbenzonitrile
CID 130033586
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
4-hydroxy-3-methyl-2-pyrrolidin-1-ylbenzonitrile
CID 168515310
2-bromo-3-cyano-6-methylbenzoic acid
CID 119006332
3-acetyl-2-bromo-4-iodobenzonitrile
CID 171004970
4-(4-hydroxy-3-methylphenyl)-2-methylbenzonitrile
CID 141464869
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide
CID 169369060
2-(1,3-dioxoisoindol-2-yl)-4-hydroxy-3-methylbenzonitrile
CID 168519413
3-acetyl-2,4-dibromobenzonitrile
CID 171007444
5-bromo-2-hydroxy-4-methylbenzonitrile
CID 67186294
2-fluoro-4-hydroxy-3-iodobenzonitrile
CID 66988798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-hydroxy-3-methylbenzonitrile?
The IUPAC name of 2-bromo-4-hydroxy-3-methylbenzonitrile (CID 131627125) is 2-bromo-4-hydroxy-3-methylbenzonitrile.
What is the SMILES notation for 2-bromo-4-hydroxy-3-methylbenzonitrile?
The canonical SMILES for 2-bromo-4-hydroxy-3-methylbenzonitrile is Cc1c(O)ccc(C#N)c1Br.
What is the InChIKey of 2-bromo-4-hydroxy-3-methylbenzonitrile?
The InChIKey is QFUNLVZAZCBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3,11H,1H3.
What are the key properties of 2-bromo-4-hydroxy-3-methylbenzonitrile?
2-bromo-4-hydroxy-3-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 2-bromo-4-hydroxy-3-methylbenzonitrile is sourced from PubChem (CID 131627125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).