5-chloro-6-nitro-1,3-dihydroindol-2-one

C8H5ClN2O3 — CID 141362608

IUPAC5-chloro-6-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Cl)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C8H5ClN2O3/c9-5-1-4-2-8(12)10-6(4)3-7(5)11(13)14/h1,3H,2H2,(H,10,12)
InChIKeyAKVAEDLMYKKRLK-UHFFFAOYSA-N
MW212.59 g/mol
LogP1.74
Rot. Bonds1

About 5-chloro-6-nitro-1,3-dihydroindol-2-one

5-chloro-6-nitro-1,3-dihydroindol-2-one (PubChem CID 141362608) has the molecular formula C8H5ClN2O3 and a molecular weight of 212.59 g/mol. Its IUPAC name is 5-chloro-6-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-nitro-1,3-dihydroindol-2-one
PubChem CID141362608
Molecular FormulaC8H5ClN2O3
Molecular Weight212.59 g/mol
Exact Mass212.00
IUPAC Name5-chloro-6-nitro-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Cl)c([N+](=O)[O-])cc2N1
InChIInChI=1S/C8H5ClN2O3/c9-5-1-4-2-8(12)10-6(4)3-7(5)11(13)14/h1,3H,2H2,(H,10,12)
InChIKeyAKVAEDLMYKKRLK-UHFFFAOYSA-N
XLogP1.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.59
LogP ≤ 51.74
H-Bond Donors ≤ 51
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

6-cyclopropyl-5-nitro-1,3-dihydroindol-2-one
CID 69464158
7-chloro-6-nitro-4H-1,4-benzothiazin-3-one
CID 129284338
5-nitro-6-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 154202750
5-chloro-6-nitro-2,3-dihydro-1H-indole
CID 126455496
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
6-(azetidin-3-yloxy)-5-nitro-1,3-dihydroindol-2-one
CID 63105926
6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 63831578
6-[(1-methylcyclopentyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 61366777
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829
6-chloro-5-[(5-nitrothiophen-3-yl)methylamino]-1,3-dihydroindol-2-one
CID 60811422
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-nitro-1,3-dihydroindol-2-one (CID 141362608) is 5-chloro-6-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-nitro-1,3-dihydroindol-2-one is O=C1Cc2cc(Cl)c([N+](=O)[O-])cc2N1.
What is the InChIKey of 5-chloro-6-nitro-1,3-dihydroindol-2-one?
The InChIKey is AKVAEDLMYKKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O3/c9-5-1-4-2-8(12)10-6(4)3-7(5)11(13)14/h1,3H,2H2,(H,10,12).
What are the key properties of 5-chloro-6-nitro-1,3-dihydroindol-2-one?
5-chloro-6-nitro-1,3-dihydroindol-2-one has a molecular weight of 212.59 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 141362608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).