2-(4-chloro-6-fluorocinnolin-3-yl)ethanol

C10H8ClFN2O — CID 67511360

IUPAC2-(4-chloro-6-fluorocinnolin-3-yl)ethanol
SMILESOCCc1nnc2ccc(F)cc2c1Cl
InChIInChI=1S/C10H8ClFN2O/c11-10-7-5-6(12)1-2-8(7)13-14-9(10)3-4-15/h1-2,5,15H,3-4H2
InChIKeyZTKNETQYCGNIRS-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.96
Rot. Bonds2

About 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol

2-(4-chloro-6-fluorocinnolin-3-yl)ethanol (PubChem CID 67511360) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-6-fluorocinnolin-3-yl)ethanol
PubChem CID67511360
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(4-chloro-6-fluorocinnolin-3-yl)ethanol
SMILESOCCc1nnc2ccc(F)cc2c1Cl
InChIInChI=1S/C10H8ClFN2O/c11-10-7-5-6(12)1-2-8(7)13-14-9(10)3-4-15/h1-2,5,15H,3-4H2
InChIKeyZTKNETQYCGNIRS-UHFFFAOYSA-N
XLogP1.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
The IUPAC name of 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol (CID 67511360) is 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
The canonical SMILES for 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol is OCCc1nnc2ccc(F)cc2c1Cl.
What is the InChIKey of 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
The InChIKey is ZTKNETQYCGNIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-10-7-5-6(12)1-2-8(7)13-14-9(10)3-4-15/h1-2,5,15H,3-4H2.
What are the key properties of 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
2-(4-chloro-6-fluorocinnolin-3-yl)ethanol has a molecular weight of 226.64 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-fluorocinnolin-3-yl)ethanol is sourced from PubChem (CID 67511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).