2-hydroxy-5-methoxybenzonitrile

C8H7NO2 — CID 7022529

IUPAC2-hydroxy-5-methoxybenzonitrile
SMILESCOc1ccc(O)c(C#N)c1
InChIInChI=1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
InChIKeyZFKRGDMEHBTPFN-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.27
Rot. Bonds1

About 2-hydroxy-5-methoxybenzonitrile

2-hydroxy-5-methoxybenzonitrile (PubChem CID 7022529) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-hydroxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-methoxybenzonitrile
PubChem CID7022529
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-hydroxy-5-methoxybenzonitrile
SMILESCOc1ccc(O)c(C#N)c1
InChIInChI=1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
InChIKeyZFKRGDMEHBTPFN-UHFFFAOYSA-N
XLogP1.27
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-5-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxybenzonitrile?
The IUPAC name of 2-hydroxy-5-methoxybenzonitrile (CID 7022529) is 2-hydroxy-5-methoxybenzonitrile.
What is the SMILES notation for 2-hydroxy-5-methoxybenzonitrile?
The canonical SMILES for 2-hydroxy-5-methoxybenzonitrile is COc1ccc(O)c(C#N)c1.
What is the InChIKey of 2-hydroxy-5-methoxybenzonitrile?
The InChIKey is ZFKRGDMEHBTPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3.
What are the key properties of 2-hydroxy-5-methoxybenzonitrile?
2-hydroxy-5-methoxybenzonitrile has a molecular weight of 149.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxybenzonitrile is sourced from PubChem (CID 7022529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).