2-chloro-7-nitro-2,3-dihydro-1H-indole

C8H7ClN2O2 — CID 86253542

IUPAC2-chloro-7-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cccc2c1NC(Cl)C2
InChIInChI=1S/C8H7ClN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-3,7,10H,4H2
InChIKeyHEPFXLMOEVAVIX-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.13
Rot. Bonds1

About 2-chloro-7-nitro-2,3-dihydro-1H-indole

2-chloro-7-nitro-2,3-dihydro-1H-indole (PubChem CID 86253542) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-chloro-7-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-chloro-7-nitro-2,3-dihydro-1H-indole
PubChem CID86253542
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name2-chloro-7-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cccc2c1NC(Cl)C2
InChIInChI=1S/C8H7ClN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-3,7,10H,4H2
InChIKeyHEPFXLMOEVAVIX-UHFFFAOYSA-N
XLogP2.13
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 2-chloro-7-nitro-2,3-dihydro-1H-indole (CID 86253542) is 2-chloro-7-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-chloro-7-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-chloro-7-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1cccc2c1NC(Cl)C2.
What is the InChIKey of 2-chloro-7-nitro-2,3-dihydro-1H-indole?
The InChIKey is HEPFXLMOEVAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-7-4-5-2-1-3-6(11(12)13)8(5)10-7/h1-3,7,10H,4H2.
What are the key properties of 2-chloro-7-nitro-2,3-dihydro-1H-indole?
2-chloro-7-nitro-2,3-dihydro-1H-indole has a molecular weight of 198.61 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 86253542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).