2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid

C11H8ClNO5 — CID 84641418

IUPAC2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid
SMILESCOc1cc2c(cc1Cl)N(CC(=O)O)C(=O)C2=O
InChIInChI=1S/C11H8ClNO5/c1-18-8-2-5-7(3-6(8)12)13(4-9(14)15)11(17)10(5)16/h2-3H,4H2,1H3,(H,14,15)
InChIKeyWOLGNGKVGYQLPX-UHFFFAOYSA-N
MW269.64 g/mol
LogP0.96
Rot. Bonds3

About 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid

2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid (PubChem CID 84641418) has the molecular formula C11H8ClNO5 and a molecular weight of 269.64 g/mol. Its IUPAC name is 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid
PubChem CID84641418
Molecular FormulaC11H8ClNO5
Molecular Weight269.64 g/mol
Exact Mass269.01
IUPAC Name2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid
SMILESCOc1cc2c(cc1Cl)N(CC(=O)O)C(=O)C2=O
InChIInChI=1S/C11H8ClNO5/c1-18-8-2-5-7(3-6(8)12)13(4-9(14)15)11(17)10(5)16/h2-3H,4H2,1H3,(H,14,15)
InChIKeyWOLGNGKVGYQLPX-UHFFFAOYSA-N
XLogP0.96
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 79348912
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
4,6-dimethoxy-1-(2-oxopropyl)indole-2,3-dione
CID 12581011
1-(3,3-dimethyl-2-oxobutyl)-5-methoxyindole-2,3-dione
CID 62023855
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-[2-(chloromethyl)prop-2-enyl]-6-methoxyindole-2,3-dione
CID 103065739
1-[(E)-3-chloro-2-methylprop-2-enyl]-6-methoxyindole-2,3-dione
CID 106438767
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
ethyl 2-(7-chloro-10,11-dimethoxy-3,4-dioxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)acetate
CID 10022579
6-methoxy-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61356415
methyl 2-(5,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 18803788

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid?
The IUPAC name of 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid (CID 84641418) is 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid is COc1cc2c(cc1Cl)N(CC(=O)O)C(=O)C2=O.
What is the InChIKey of 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid?
The InChIKey is WOLGNGKVGYQLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO5/c1-18-8-2-5-7(3-6(8)12)13(4-9(14)15)11(17)10(5)16/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid?
2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid has a molecular weight of 269.64 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid is sourced from PubChem (CID 84641418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).