2-chloro-6-nitro-3H-indole

C8H5ClN2O2 — CID 125415200

IUPAC2-chloro-6-nitro-3H-indole
SMILESO=[N+]([O-])c1ccc2c(c1)N=C(Cl)C2
InChIInChI=1S/C8H5ClN2O2/c9-8-3-5-1-2-6(11(12)13)4-7(5)10-8/h1-2,4H,3H2
InChIKeyONMYRSUCTSQFLJ-UHFFFAOYSA-N
MW196.59 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-6-nitro-3H-indole

2-chloro-6-nitro-3H-indole (PubChem CID 125415200) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 2-chloro-6-nitro-3H-indole.

Molecular Properties

Compound Name2-chloro-6-nitro-3H-indole
PubChem CID125415200
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name2-chloro-6-nitro-3H-indole
SMILESO=[N+]([O-])c1ccc2c(c1)N=C(Cl)C2
InChIInChI=1S/C8H5ClN2O2/c9-8-3-5-1-2-6(11(12)13)4-7(5)10-8/h1-2,4H,3H2
InChIKeyONMYRSUCTSQFLJ-UHFFFAOYSA-N
XLogP2.42
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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6-nitro-3H-1-benzothiophen-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-3H-indole?
The IUPAC name of 2-chloro-6-nitro-3H-indole (CID 125415200) is 2-chloro-6-nitro-3H-indole.
What is the SMILES notation for 2-chloro-6-nitro-3H-indole?
The canonical SMILES for 2-chloro-6-nitro-3H-indole is O=[N+]([O-])c1ccc2c(c1)N=C(Cl)C2.
What is the InChIKey of 2-chloro-6-nitro-3H-indole?
The InChIKey is ONMYRSUCTSQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-8-3-5-1-2-6(11(12)13)4-7(5)10-8/h1-2,4H,3H2.
What are the key properties of 2-chloro-6-nitro-3H-indole?
2-chloro-6-nitro-3H-indole has a molecular weight of 196.59 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-3H-indole is sourced from PubChem (CID 125415200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).