5-chloro-7-nitroindol-2-one

C8H3ClN2O3 — CID 141463328

IUPAC5-chloro-7-nitroindol-2-one
SMILESO=C1C=c2cc(Cl)cc([N+](=O)[O-])c2=N1
InChIInChI=1S/C8H3ClN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1-3H
InChIKeyKHNRYWJDUMQIBE-UHFFFAOYSA-N
MW210.58 g/mol
LogP0.19
Rot. Bonds1

About 5-chloro-7-nitroindol-2-one

5-chloro-7-nitroindol-2-one (PubChem CID 141463328) has the molecular formula C8H3ClN2O3 and a molecular weight of 210.58 g/mol. Its IUPAC name is 5-chloro-7-nitroindol-2-one.

Molecular Properties

Compound Name5-chloro-7-nitroindol-2-one
PubChem CID141463328
Molecular FormulaC8H3ClN2O3
Molecular Weight210.58 g/mol
Exact Mass209.98
IUPAC Name5-chloro-7-nitroindol-2-one
SMILESO=C1C=c2cc(Cl)cc([N+](=O)[O-])c2=N1
InChIInChI=1S/C8H3ClN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1-3H
InChIKeyKHNRYWJDUMQIBE-UHFFFAOYSA-N
XLogP0.19
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-nitroindol-2-one?
The IUPAC name of 5-chloro-7-nitroindol-2-one (CID 141463328) is 5-chloro-7-nitroindol-2-one.
What is the SMILES notation for 5-chloro-7-nitroindol-2-one?
The canonical SMILES for 5-chloro-7-nitroindol-2-one is O=C1C=c2cc(Cl)cc([N+](=O)[O-])c2=N1.
What is the InChIKey of 5-chloro-7-nitroindol-2-one?
The InChIKey is KHNRYWJDUMQIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN2O3/c9-5-1-4-2-7(12)10-8(4)6(3-5)11(13)14/h1-3H.
What are the key properties of 5-chloro-7-nitroindol-2-one?
5-chloro-7-nitroindol-2-one has a molecular weight of 210.58 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-nitroindol-2-one is sourced from PubChem (CID 141463328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).