2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid

C10H6ClNO3 — CID 22556709

IUPAC2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H6ClNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,12H,(H,14,15)
InChIKeyOLZDVSJNJRPDKW-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.09
Rot. Bonds2

About 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid

2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid (PubChem CID 22556709) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
PubChem CID22556709
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H6ClNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,12H,(H,14,15)
InChIKeyOLZDVSJNJRPDKW-UHFFFAOYSA-N
XLogP2.09
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid (CID 22556709) is 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid is O=C(O)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid?
The InChIKey is OLZDVSJNJRPDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,12H,(H,14,15).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid?
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid has a molecular weight of 223.62 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid is sourced from PubChem (CID 22556709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).