2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile

C11H7N3O2 — CID 164613320

IUPAC2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile
SMILESN#Cc1cc(-c2nccc(=O)[nH]2)ccc1O
InChIInChI=1S/C11H7N3O2/c12-6-8-5-7(1-2-9(8)15)11-13-4-3-10(16)14-11/h1-5,15H,(H,13,14,16)
InChIKeyXWMJLVLXXBEBKI-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.01
Rot. Bonds1

About 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile

2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile (PubChem CID 164613320) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile
PubChem CID164613320
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile
SMILESN#Cc1cc(-c2nccc(=O)[nH]2)ccc1O
InChIInChI=1S/C11H7N3O2/c12-6-8-5-7(1-2-9(8)15)11-13-4-3-10(16)14-11/h1-5,15H,(H,13,14,16)
InChIKeyXWMJLVLXXBEBKI-UHFFFAOYSA-N
XLogP1.01
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile 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-(6-oxo-1H-pyrimidin-2-yl)benzonitrile?
The IUPAC name of 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile (CID 164613320) is 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile.
What is the SMILES notation for 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile?
The canonical SMILES for 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile is N#Cc1cc(-c2nccc(=O)[nH]2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile?
The InChIKey is XWMJLVLXXBEBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-6-8-5-7(1-2-9(8)15)11-13-4-3-10(16)14-11/h1-5,15H,(H,13,14,16).
What are the key properties of 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile?
2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile has a molecular weight of 213.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 164613320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).