2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid

C10H7F2NO4 — CID 132552076

IUPAC2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
SMILESO=C(O)CC1(O)C(=O)Nc2cc(F)c(F)cc21
InChIInChI=1S/C10H7F2NO4/c11-5-1-4-7(2-6(5)12)13-9(16)10(4,17)3-8(14)15/h1-2,17H,3H2,(H,13,16)(H,14,15)
InChIKeyKXFPSDDBXAKYFR-UHFFFAOYSA-N
MW243.16 g/mol
LogP0.58
Rot. Bonds2

About 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid

2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid (PubChem CID 132552076) has the molecular formula C10H7F2NO4 and a molecular weight of 243.16 g/mol. Its IUPAC name is 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
PubChem CID132552076
Molecular FormulaC10H7F2NO4
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Name2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
SMILESO=C(O)CC1(O)C(=O)Nc2cc(F)c(F)cc21
InChIInChI=1S/C10H7F2NO4/c11-5-1-4-7(2-6(5)12)13-9(16)10(4,17)3-8(14)15/h1-2,17H,3H2,(H,13,16)(H,14,15)
InChIKeyKXFPSDDBXAKYFR-UHFFFAOYSA-N
XLogP0.58
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid (CID 132552076) is 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid is O=C(O)CC1(O)C(=O)Nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The InChIKey is KXFPSDDBXAKYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO4/c11-5-1-4-7(2-6(5)12)13-9(16)10(4,17)3-8(14)15/h1-2,17H,3H2,(H,13,16)(H,14,15).
What are the key properties of 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid has a molecular weight of 243.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 132552076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).