2-(4-chlorocinnolin-3-yl)propan-2-ol

C11H11ClN2O — CID 10082303

IUPAC2-(4-chlorocinnolin-3-yl)propan-2-ol
SMILESCC(C)(O)c1nnc2ccccc2c1Cl
InChIInChI=1S/C11H11ClN2O/c1-11(2,15)10-9(12)7-5-3-4-6-8(7)13-14-10/h3-6,15H,1-2H3
InChIKeyGCNREKQDJKNBQT-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.51
Rot. Bonds1

About 2-(4-chlorocinnolin-3-yl)propan-2-ol

2-(4-chlorocinnolin-3-yl)propan-2-ol (PubChem CID 10082303) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-(4-chlorocinnolin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chlorocinnolin-3-yl)propan-2-ol
PubChem CID10082303
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-(4-chlorocinnolin-3-yl)propan-2-ol
SMILESCC(C)(O)c1nnc2ccccc2c1Cl
InChIInChI=1S/C11H11ClN2O/c1-11(2,15)10-9(12)7-5-3-4-6-8(7)13-14-10/h3-6,15H,1-2H3
InChIKeyGCNREKQDJKNBQT-UHFFFAOYSA-N
XLogP2.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorocinnolin-3-yl)propan-2-ol?
The IUPAC name of 2-(4-chlorocinnolin-3-yl)propan-2-ol (CID 10082303) is 2-(4-chlorocinnolin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chlorocinnolin-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-chlorocinnolin-3-yl)propan-2-ol is CC(C)(O)c1nnc2ccccc2c1Cl.
What is the InChIKey of 2-(4-chlorocinnolin-3-yl)propan-2-ol?
The InChIKey is GCNREKQDJKNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-11(2,15)10-9(12)7-5-3-4-6-8(7)13-14-10/h3-6,15H,1-2H3.
What are the key properties of 2-(4-chlorocinnolin-3-yl)propan-2-ol?
2-(4-chlorocinnolin-3-yl)propan-2-ol has a molecular weight of 222.68 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorocinnolin-3-yl)propan-2-ol is sourced from PubChem (CID 10082303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).