7-chloro-4-nitro-2,3-dihydro-1H-indole

C8H7ClN2O2 — CID 57437687

IUPAC7-chloro-4-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1ccc(Cl)c2c1CCN2
InChIInChI=1S/C8H7ClN2O2/c9-6-1-2-7(11(12)13)5-3-4-10-8(5)6/h1-2,10H,3-4H2
InChIKeyNGRRGZNAAGMLQM-UHFFFAOYSA-N
MW198.61 g/mol
LogP2.22
Rot. Bonds1

About 7-chloro-4-nitro-2,3-dihydro-1H-indole

7-chloro-4-nitro-2,3-dihydro-1H-indole (PubChem CID 57437687) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 7-chloro-4-nitro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-chloro-4-nitro-2,3-dihydro-1H-indole
PubChem CID57437687
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name7-chloro-4-nitro-2,3-dihydro-1H-indole
SMILESO=[N+]([O-])c1ccc(Cl)c2c1CCN2
InChIInChI=1S/C8H7ClN2O2/c9-6-1-2-7(11(12)13)5-3-4-10-8(5)6/h1-2,10H,3-4H2
InChIKeyNGRRGZNAAGMLQM-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

7-chloro-8-nitro-2,3-dihydro-1H-quinolin-4-one
CID 10727978
7-bromo-6-nitro-2,3-dihydro-1H-indole
CID 21338909
8-nitro-1,2,3,4-tetrahydroquinolin-5-ol
CID 133057648
4-chloro-7-fluoro-2,3-dihydro-1H-indole
CID 16783865
5-chloro-6-nitro-2,3-dihydro-1H-indole
CID 126455496
5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 70281218
4-nitro-5,6,7,8-tetrahydronaphthalene-1-carbonyl chloride
CID 22452665
4-chloro-7-nitro-1H-indole-2,3-dione
CID 18070554
5-fluoro-7-nitro-2,3-dihydro-1H-indole
CID 138106117
4-chloro-7-nitroisoindole-1,3-dione
CID 86197598
6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 83821692
6-chloro-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 84690749

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-nitro-2,3-dihydro-1H-indole?
The IUPAC name of 7-chloro-4-nitro-2,3-dihydro-1H-indole (CID 57437687) is 7-chloro-4-nitro-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-chloro-4-nitro-2,3-dihydro-1H-indole?
The canonical SMILES for 7-chloro-4-nitro-2,3-dihydro-1H-indole is O=[N+]([O-])c1ccc(Cl)c2c1CCN2.
What is the InChIKey of 7-chloro-4-nitro-2,3-dihydro-1H-indole?
The InChIKey is NGRRGZNAAGMLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-6-1-2-7(11(12)13)5-3-4-10-8(5)6/h1-2,10H,3-4H2.
What are the key properties of 7-chloro-4-nitro-2,3-dihydro-1H-indole?
7-chloro-4-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 7-chloro-4-nitro-2,3-dihydro-1H-indole is sourced from PubChem (CID 57437687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).