3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid

C16H13FN2O2 — CID 22479773

IUPAC3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FN2O2/c17-12-5-3-11(4-6-12)16-13-9-10(2-8-15(20)21)1-7-14(13)18-19-16/h1,3-7,9H,2,8H2,(H,18,19)(H,20,21)
InChIKeyKECVAQGKMFEIQS-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.39
Rot. Bonds4

About 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid

3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid (PubChem CID 22479773) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid
PubChem CID22479773
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H13FN2O2/c17-12-5-3-11(4-6-12)16-13-9-10(2-8-15(20)21)1-7-14(13)18-19-16/h1,3-7,9H,2,8H2,(H,18,19)(H,20,21)
InChIKeyKECVAQGKMFEIQS-UHFFFAOYSA-N
XLogP3.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid (CID 22479773) is 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid is O=C(O)CCc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid?
The InChIKey is KECVAQGKMFEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-5-3-11(4-6-12)16-13-9-10(2-8-15(20)21)1-7-14(13)18-19-16/h1,3-7,9H,2,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid?
3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid has a molecular weight of 284.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1H-indazol-5-yl]propanoic acid is sourced from PubChem (CID 22479773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).