3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione

C19H14FN3O3 — CID 142402265

IUPAC3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCO)c3ccc(F)cc23)=C1c1cccnc1
InChIInChI=1S/C19H14FN3O3/c20-12-3-4-15-13(8-12)14(10-23(15)6-7-24)17-16(18(25)22-19(17)26)11-2-1-5-21-9-11/h1-5,8-10,24H,6-7H2,(H,22,25,26)
InChIKeyKHNHHSBYJFMMON-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.73
Rot. Bonds4

About 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione

3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione (PubChem CID 142402265) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione
PubChem CID142402265
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCO)c3ccc(F)cc23)=C1c1cccnc1
InChIInChI=1S/C19H14FN3O3/c20-12-3-4-15-13(8-12)14(10-23(15)6-7-24)17-16(18(25)22-19(17)26)11-2-1-5-21-9-11/h1-5,8-10,24H,6-7H2,(H,22,25,26)
InChIKeyKHNHHSBYJFMMON-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione (CID 142402265) is 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCO)c3ccc(F)cc23)=C1c1cccnc1.
What is the InChIKey of 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is KHNHHSBYJFMMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-12-3-4-15-13(8-12)14(10-23(15)6-7-24)17-16(18(25)22-19(17)26)11-2-1-5-21-9-11/h1-5,8-10,24H,6-7H2,(H,22,25,26).
What are the key properties of 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione?
3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 351.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 142402265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).