4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid

C17H15FN2O2 — CID 2990343

IUPAC4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H15FN2O2/c18-11-7-8-14-13(10-11)12(4-3-6-16(21)22)17(20-14)15-5-1-2-9-19-15/h1-2,5,7-10,20H,3-4,6H2,(H,21,22)
InChIKeyZSJSJCLJZNGONA-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.78
Rot. Bonds5

About 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid

4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid (PubChem CID 2990343) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid
PubChem CID2990343
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H15FN2O2/c18-11-7-8-14-13(10-11)12(4-3-6-16(21)22)17(20-14)15-5-1-2-9-19-15/h1-2,5,7-10,20H,3-4,6H2,(H,21,22)
InChIKeyZSJSJCLJZNGONA-UHFFFAOYSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid?
The IUPAC name of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid (CID 2990343) is 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid?
The canonical SMILES for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid is O=C(O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12.
What is the InChIKey of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid?
The InChIKey is ZSJSJCLJZNGONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-11-7-8-14-13(10-11)12(4-3-6-16(21)22)17(20-14)15-5-1-2-9-19-15/h1-2,5,7-10,20H,3-4,6H2,(H,21,22).
What are the key properties of 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid?
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid has a molecular weight of 298.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 2990343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).