1-(4-chloro-6-fluorocinnolin-3-yl)ethanol

C10H8ClFN2O — CID 67511359

IUPAC1-(4-chloro-6-fluorocinnolin-3-yl)ethanol
SMILESCC(O)c1nnc2ccc(F)cc2c1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5(15)10-9(11)7-4-6(12)2-3-8(7)13-14-10/h2-5,15H,1H3
InChIKeyHTJINDYYYRSKLA-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.48
Rot. Bonds1

About 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol

1-(4-chloro-6-fluorocinnolin-3-yl)ethanol (PubChem CID 67511359) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-6-fluorocinnolin-3-yl)ethanol
PubChem CID67511359
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name1-(4-chloro-6-fluorocinnolin-3-yl)ethanol
SMILESCC(O)c1nnc2ccc(F)cc2c1Cl
InChIInChI=1S/C10H8ClFN2O/c1-5(15)10-9(11)7-4-6(12)2-3-8(7)13-14-10/h2-5,15H,1H3
InChIKeyHTJINDYYYRSKLA-UHFFFAOYSA-N
XLogP2.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
The IUPAC name of 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol (CID 67511359) is 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
The canonical SMILES for 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol is CC(O)c1nnc2ccc(F)cc2c1Cl.
What is the InChIKey of 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
The InChIKey is HTJINDYYYRSKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-5(15)10-9(11)7-4-6(12)2-3-8(7)13-14-10/h2-5,15H,1H3.
What are the key properties of 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol?
1-(4-chloro-6-fluorocinnolin-3-yl)ethanol has a molecular weight of 226.64 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-fluorocinnolin-3-yl)ethanol is sourced from PubChem (CID 67511359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).