1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol

C16H12F2N2O — CID 58368474

IUPAC1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol
SMILESCC(O)c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H12F2N2O/c1-9(21)13-8-14(18)12-5-6-19-20-16(12)15(13)10-3-2-4-11(17)7-10/h2-9,21H,1H3
InChIKeyGZMFZABDROFYJS-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.63
Rot. Bonds2

About 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol

1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol (PubChem CID 58368474) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol
PubChem CID58368474
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol
SMILESCC(O)c1cc(F)c2ccnnc2c1-c1cccc(F)c1
InChIInChI=1S/C16H12F2N2O/c1-9(21)13-8-14(18)12-5-6-19-20-16(12)15(13)10-3-2-4-11(17)7-10/h2-9,21H,1H3
InChIKeyGZMFZABDROFYJS-UHFFFAOYSA-N
XLogP3.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol?
The IUPAC name of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol (CID 58368474) is 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol.
What is the SMILES notation for 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol?
The canonical SMILES for 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol is CC(O)c1cc(F)c2ccnnc2c1-c1cccc(F)c1.
What is the InChIKey of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol?
The InChIKey is GZMFZABDROFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-9(21)13-8-14(18)12-5-6-19-20-16(12)15(13)10-3-2-4-11(17)7-10/h2-9,21H,1H3.
What are the key properties of 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol?
1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol has a molecular weight of 286.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-8-(3-fluorophenyl)cinnolin-7-yl]ethanol is sourced from PubChem (CID 58368474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).