2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid

C11H7ClFNO4 — CID 145328296

IUPAC2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)C(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C11H7ClFNO4/c1-4(11(17)18)14-8-3-6(12)7(13)2-5(8)9(15)10(14)16/h2-4H,1H3,(H,17,18)
InChIKeyRQXZMZNUUCBHMK-UHFFFAOYSA-N
MW271.63 g/mol
LogP1.48
Rot. Bonds2

About 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid

2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid (PubChem CID 145328296) has the molecular formula C11H7ClFNO4 and a molecular weight of 271.63 g/mol. Its IUPAC name is 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid
PubChem CID145328296
Molecular FormulaC11H7ClFNO4
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)C(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C11H7ClFNO4/c1-4(11(17)18)14-8-3-6(12)7(13)2-5(8)9(15)10(14)16/h2-4H,1H3,(H,17,18)
InChIKeyRQXZMZNUUCBHMK-UHFFFAOYSA-N
XLogP1.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid?
The IUPAC name of 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid (CID 145328296) is 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid?
The canonical SMILES for 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid is CC(C(=O)O)N1C(=O)C(=O)c2cc(F)c(Cl)cc21.
What is the InChIKey of 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid?
The InChIKey is RQXZMZNUUCBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4/c1-4(11(17)18)14-8-3-6(12)7(13)2-5(8)9(15)10(14)16/h2-4H,1H3,(H,17,18).
What are the key properties of 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid?
2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid has a molecular weight of 271.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-fluoro-2,3-dioxoindol-1-yl)propanoic acid is sourced from PubChem (CID 145328296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).