cinnolin-4-ylmethanol

C9H8N2O — CID 23560691

IUPACcinnolin-4-ylmethanol
SMILESOCc1cnnc2ccccc12
InChIInChI=1S/C9H8N2O/c12-6-7-5-10-11-9-4-2-1-3-8(7)9/h1-5,12H,6H2
InChIKeyXATQUSHJEVFFLF-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.12
Rot. Bonds1

About cinnolin-4-ylmethanol

cinnolin-4-ylmethanol (PubChem CID 23560691) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is cinnolin-4-ylmethanol.

Molecular Properties

Compound Namecinnolin-4-ylmethanol
PubChem CID23560691
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Namecinnolin-4-ylmethanol
SMILESOCc1cnnc2ccccc12
InChIInChI=1S/C9H8N2O/c12-6-7-5-10-11-9-4-2-1-3-8(7)9/h1-5,12H,6H2
InChIKeyXATQUSHJEVFFLF-UHFFFAOYSA-N
XLogP1.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cinnolin-4-ylmethanol?
The IUPAC name of cinnolin-4-ylmethanol (CID 23560691) is cinnolin-4-ylmethanol.
What is the SMILES notation for cinnolin-4-ylmethanol?
The canonical SMILES for cinnolin-4-ylmethanol is OCc1cnnc2ccccc12.
What is the InChIKey of cinnolin-4-ylmethanol?
The InChIKey is XATQUSHJEVFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-6-7-5-10-11-9-4-2-1-3-8(7)9/h1-5,12H,6H2.
What are the key properties of cinnolin-4-ylmethanol?
cinnolin-4-ylmethanol has a molecular weight of 160.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-4-ylmethanol is sourced from PubChem (CID 23560691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).