2-pyridazin-4-ylphenol

C10H8N2O — CID 139536725

IUPAC2-pyridazin-4-ylphenol
SMILESOc1ccccc1-c1ccnnc1
InChIInChI=1S/C10H8N2O/c13-10-4-2-1-3-9(10)8-5-6-11-12-7-8/h1-7,13H
InChIKeyHDKGAUWQAMSBQU-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.85
Rot. Bonds1

About 2-pyridazin-4-ylphenol

2-pyridazin-4-ylphenol (PubChem CID 139536725) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-pyridazin-4-ylphenol.

Molecular Properties

Compound Name2-pyridazin-4-ylphenol
PubChem CID139536725
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-pyridazin-4-ylphenol
SMILESOc1ccccc1-c1ccnnc1
InChIInChI=1S/C10H8N2O/c13-10-4-2-1-3-9(10)8-5-6-11-12-7-8/h1-7,13H
InChIKeyHDKGAUWQAMSBQU-UHFFFAOYSA-N
XLogP1.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-ylphenol?
The IUPAC name of 2-pyridazin-4-ylphenol (CID 139536725) is 2-pyridazin-4-ylphenol.
What is the SMILES notation for 2-pyridazin-4-ylphenol?
The canonical SMILES for 2-pyridazin-4-ylphenol is Oc1ccccc1-c1ccnnc1.
What is the InChIKey of 2-pyridazin-4-ylphenol?
The InChIKey is HDKGAUWQAMSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10-4-2-1-3-9(10)8-5-6-11-12-7-8/h1-7,13H.
What are the key properties of 2-pyridazin-4-ylphenol?
2-pyridazin-4-ylphenol has a molecular weight of 172.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-ylphenol is sourced from PubChem (CID 139536725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).