3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate

C16H12FN2O2- — CID 7745015

IUPAC3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate
SMILESO=C([O-])CCc1c(-c2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H13FN2O2/c17-10-4-6-13-12(9-10)11(5-7-15(20)21)16(19-13)14-3-1-2-8-18-14/h1-4,6,8-9,19H,5,7H2,(H,20,21)/p-1
InChIKeyPYJRGBLNMYEJQY-UHFFFAOYSA-M
MW283.28 g/mol
LogP2.05
Rot. Bonds4

About 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate

3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate (PubChem CID 7745015) has the molecular formula C16H12FN2O2- and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate
PubChem CID7745015
Molecular FormulaC16H12FN2O2-
Molecular Weight283.28 g/mol
Exact Mass283.09
IUPAC Name3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate
SMILESO=C([O-])CCc1c(-c2ccccn2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H13FN2O2/c17-10-4-6-13-12(9-10)11(5-7-15(20)21)16(19-13)14-3-1-2-8-18-14/h1-4,6,8-9,19H,5,7H2,(H,20,21)/p-1
InChIKeyPYJRGBLNMYEJQY-UHFFFAOYSA-M
XLogP2.05
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate?
The IUPAC name of 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate (CID 7745015) is 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate.
What is the SMILES notation for 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate?
The canonical SMILES for 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate is O=C([O-])CCc1c(-c2ccccn2)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate?
The InChIKey is PYJRGBLNMYEJQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13FN2O2/c17-10-4-6-13-12(9-10)11(5-7-15(20)21)16(19-13)14-3-1-2-8-18-14/h1-4,6,8-9,19H,5,7H2,(H,20,21)/p-1.
What are the key properties of 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate?
3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate has a molecular weight of 283.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)propanoate is sourced from PubChem (CID 7745015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).