1H-indole;oxalyl dichloride

C10H7Cl2NO2 — CID 87707386

IUPAC1H-indole;oxalyl dichloride
SMILESO=C(Cl)C(=O)Cl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C2Cl2O2/c1-2-4-8-7(3-1)5-6-9-8;3-1(5)2(4)6/h1-6,9H;
InChIKeySNQXBENVBDLMJM-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.69
Rot. Bonds1

About 1H-indole;oxalyl dichloride

1H-indole;oxalyl dichloride (PubChem CID 87707386) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 1H-indole;oxalyl dichloride.

Molecular Properties

Compound Name1H-indole;oxalyl dichloride
PubChem CID87707386
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name1H-indole;oxalyl dichloride
SMILESO=C(Cl)C(=O)Cl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C2Cl2O2/c1-2-4-8-7(3-1)5-6-9-8;3-1(5)2(4)6/h1-6,9H;
InChIKeySNQXBENVBDLMJM-UHFFFAOYSA-N
XLogP2.69
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-indole;2-oxopropanoyl chloride
CID 143293579
acetic acid;1H-indole
CID 67663544
carbamic acid;1H-indole
CID 66672708
acetic acid;bis(1H-indole)
CID 162014067
bis(1H-indole);methanol
CID 70305490
1H-indole;oxozinc
CID 174920230
1H-indole;dihydrochloride
CID 18796541
formic acid;1H-indole
CID 146381063
cesium;1H-indole;hydroxide
CID 175329356
disodium;tris(1H-indole);sulfide
CID 67840647
CID 174930358
CID 174930358
2-aminoacetic acid;1H-indole
CID 118109552

Frequently Asked Questions

What is the IUPAC name of 1H-indole;oxalyl dichloride?
The IUPAC name of 1H-indole;oxalyl dichloride (CID 87707386) is 1H-indole;oxalyl dichloride.
What is the SMILES notation for 1H-indole;oxalyl dichloride?
The canonical SMILES for 1H-indole;oxalyl dichloride is O=C(Cl)C(=O)Cl.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;oxalyl dichloride?
The InChIKey is SNQXBENVBDLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C2Cl2O2/c1-2-4-8-7(3-1)5-6-9-8;3-1(5)2(4)6/h1-6,9H;.
What are the key properties of 1H-indole;oxalyl dichloride?
1H-indole;oxalyl dichloride has a molecular weight of 244.08 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;oxalyl dichloride is sourced from PubChem (CID 87707386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).