3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid

C18H15FN2O4 — CID 68930611

IUPAC3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C18H15FN2O4/c19-12-4-1-11(2-5-12)3-7-14-16-15(21-20-14)8-6-13(18(23)24)17(16)25-10-9-22/h1-8,22H,9-10H2,(H,20,21)(H,23,24)
InChIKeyIXVSLQUJRIHVKA-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.94
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid

3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid (PubChem CID 68930611) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
PubChem CID68930611
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C18H15FN2O4/c19-12-4-1-11(2-5-12)3-7-14-16-15(21-20-14)8-6-13(18(23)24)17(16)25-10-9-22/h1-8,22H,9-10H2,(H,20,21)(H,23,24)
InChIKeyIXVSLQUJRIHVKA-UHFFFAOYSA-N
XLogP2.94
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid (CID 68930611) is 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid?
The InChIKey is IXVSLQUJRIHVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c19-12-4-1-11(2-5-12)3-7-14-16-15(21-20-14)8-6-13(18(23)24)17(16)25-10-9-22/h1-8,22H,9-10H2,(H,20,21)(H,23,24).
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid?
3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 68930611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).