4-cinnolin-4-yloxy-2-fluorobenzoic acid

C15H9FN2O3 — CID 107677502

IUPAC4-cinnolin-4-yloxy-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(Oc2cnnc3ccccc23)cc1F
InChIInChI=1S/C15H9FN2O3/c16-12-7-9(5-6-10(12)15(19)20)21-14-8-17-18-13-4-2-1-3-11(13)14/h1-8H,(H,19,20)
InChIKeyLUEFKYUUTVRVAF-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.26
Rot. Bonds3

About 4-cinnolin-4-yloxy-2-fluorobenzoic acid

4-cinnolin-4-yloxy-2-fluorobenzoic acid (PubChem CID 107677502) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-cinnolin-4-yloxy-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-cinnolin-4-yloxy-2-fluorobenzoic acid
PubChem CID107677502
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name4-cinnolin-4-yloxy-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(Oc2cnnc3ccccc23)cc1F
InChIInChI=1S/C15H9FN2O3/c16-12-7-9(5-6-10(12)15(19)20)21-14-8-17-18-13-4-2-1-3-11(13)14/h1-8H,(H,19,20)
InChIKeyLUEFKYUUTVRVAF-UHFFFAOYSA-N
XLogP3.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107677384
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CID 107677517
4-cinnolin-4-yloxyaniline
CID 63586759
2-chloro-4-cinnolin-4-yloxyaniline
CID 55213191
4-cinnolin-4-yloxy-3-methylbenzoic acid
CID 107672871
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
2-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672665
4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553

Frequently Asked Questions

What is the IUPAC name of 4-cinnolin-4-yloxy-2-fluorobenzoic acid?
The IUPAC name of 4-cinnolin-4-yloxy-2-fluorobenzoic acid (CID 107677502) is 4-cinnolin-4-yloxy-2-fluorobenzoic acid.
What is the SMILES notation for 4-cinnolin-4-yloxy-2-fluorobenzoic acid?
The canonical SMILES for 4-cinnolin-4-yloxy-2-fluorobenzoic acid is O=C(O)c1ccc(Oc2cnnc3ccccc23)cc1F.
What is the InChIKey of 4-cinnolin-4-yloxy-2-fluorobenzoic acid?
The InChIKey is LUEFKYUUTVRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-12-7-9(5-6-10(12)15(19)20)21-14-8-17-18-13-4-2-1-3-11(13)14/h1-8H,(H,19,20).
What are the key properties of 4-cinnolin-4-yloxy-2-fluorobenzoic acid?
4-cinnolin-4-yloxy-2-fluorobenzoic acid has a molecular weight of 284.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cinnolin-4-yloxy-2-fluorobenzoic acid is sourced from PubChem (CID 107677502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).