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

C10H8ClNO3 — CID 64914377

IUPAC2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H8ClNO3/c11-5-1-2-6-7(4-9(13)14)10(15)12-8(6)3-5/h1-3,7H,4H2,(H,12,15)(H,13,14)
InChIKeyUGTURONJYZTWAN-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.85
Rot. Bonds2

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

2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (PubChem CID 64914377) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
PubChem CID64914377
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
SMILESO=C(O)CC1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C10H8ClNO3/c11-5-1-2-6-7(4-9(13)14)10(15)12-8(6)3-5/h1-3,7H,4H2,(H,12,15)(H,13,14)
InChIKeyUGTURONJYZTWAN-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid (CID 64914377) is 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is O=C(O)CC1C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
The InChIKey is UGTURONJYZTWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-5-1-2-6-7(4-9(13)14)10(15)12-8(6)3-5/h1-3,7H,4H2,(H,12,15)(H,13,14).
What are the key properties of 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid?
2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid has a molecular weight of 225.63 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 64914377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).