2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid

C10H7ClFNO3 — CID 79336657

IUPAC2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H7ClFNO3/c11-6-1-4-5(2-9(14)15)10(16)13-8(4)3-7(6)12/h1,3,5H,2H2,(H,13,16)(H,14,15)
InChIKeyBGTASORFTCVOLD-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.99
Rot. Bonds2

About 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid

2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (PubChem CID 79336657) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
PubChem CID79336657
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H7ClFNO3/c11-6-1-4-5(2-9(14)15)10(16)13-8(4)3-7(6)12/h1,3,5H,2H2,(H,13,16)(H,14,15)
InChIKeyBGTASORFTCVOLD-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (CID 79336657) is 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is O=C(O)CC1C(=O)Nc2cc(F)c(Cl)cc21.
What is the InChIKey of 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The InChIKey is BGTASORFTCVOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c11-6-1-4-5(2-9(14)15)10(16)13-8(4)3-7(6)12/h1,3,5H,2H2,(H,13,16)(H,14,15).
What are the key properties of 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid has a molecular weight of 243.62 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 79336657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).