5-chloro-6-nitro-2,3-dihydro-1H-indole

C8H7ClN2O2 — CID 126455496

IUPAC5-chloro-6-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cc2c(cc1Cl)CCN2
InChIInChI=1S/C8H7ClN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2
InChIKeySOMADCPMWAGDKT-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.22
Rot. Bonds1

About 5-chloro-6-nitro-2,3-dihydro-1H-indole

5-chloro-6-nitro-2,3-dihydro-1H-indole (PubChem CID 126455496) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-chloro-6-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-6-nitro-2,3-dihydro-1H-indole
PubChem CID126455496
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-chloro-6-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1cc2c(cc1Cl)CCN2
InChIInChI=1S/C8H7ClN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2
InChIKeySOMADCPMWAGDKT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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

5-bromo-6-nitro-2,3-dihydro-1H-indole
CID 827562
5-chloro-6-nitro-1,3-dihydroindol-2-one
CID 141362608
3-chloro-2-nitro-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 142365880
6-methyl-7-nitro-1,2,3,4-tetrahydroquinoline
CID 59442001
6-chloro-2,3-dihydro-1H-indol-5-amine
CID 82413004
6-chloro-5-methyl-2,3-dihydro-1H-indole
CID 22186080
1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline;bis(2,4,6-trinitrophenol)
CID 2749372
7-chloro-6-nitro-4H-1,4-benzothiazin-3-one
CID 129284338
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
7-chloro-4-nitro-2,3-dihydro-1H-indole
CID 57437687
1-(2,5-dichloro-4-nitrophenyl)piperazine
CID 165124690
2-chloro-1-(6-chloro-2,3-dihydro-1H-indol-5-yl)ethanone
CID 87795518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-6-nitro-2,3-dihydro-1H-indole (CID 126455496) is 5-chloro-6-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-6-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-6-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1cc2c(cc1Cl)CCN2.
What is the InChIKey of 5-chloro-6-nitro-2,3-dihydro-1H-indole?
The InChIKey is SOMADCPMWAGDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-6-3-5-1-2-10-7(5)4-8(6)11(12)13/h3-4,10H,1-2H2.
What are the key properties of 5-chloro-6-nitro-2,3-dihydro-1H-indole?
5-chloro-6-nitro-2,3-dihydro-1H-indole has a molecular weight of 198.61 g/mol, XLogP of 2.22, 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-2,3-dihydro-1H-indole is sourced from PubChem (CID 126455496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).