1-(4-chlorophenyl)-5-nitroindole

C14H9ClN2O2 — CID 102404578

IUPAC1-(4-chlorophenyl)-5-nitroindole
SMILESO=[N+]([O-])c1ccc2c(ccn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9ClN2O2/c15-11-1-3-12(4-2-11)16-8-7-10-9-13(17(18)19)5-6-14(10)16/h1-9H
InChIKeyNEHLYHNQKRWUMR-UHFFFAOYSA-N
MW272.69 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-chlorophenyl)-5-nitroindole

1-(4-chlorophenyl)-5-nitroindole (PubChem CID 102404578) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-nitroindole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-nitroindole
PubChem CID102404578
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name1-(4-chlorophenyl)-5-nitroindole
SMILESO=[N+]([O-])c1ccc2c(ccn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H9ClN2O2/c15-11-1-3-12(4-2-11)16-8-7-10-9-13(17(18)19)5-6-14(10)16/h1-9H
InChIKeyNEHLYHNQKRWUMR-UHFFFAOYSA-N
XLogP4.19
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 54.19
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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Related Compounds

5-nitro-1-(3,4,5-trimethoxyphenyl)indole
CID 139938209
5-nitro-1-(2-nitrophenyl)indole
CID 86572839
5-nitroindol-1-amine
CID 10583430
trimethyl-(5-nitroindol-1-yl)silane
CID 553560
CID 70381437
CID 70381437
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
1-(2-methylsulfinylpyrimidin-4-yl)-5-nitroindole
CID 135203748
1-(5-nitroindol-1-yl)ethanol
CID 141070113
1-chloro-4-nitrobenzene;ethane
CID 90737802
methyl-[4-(5-nitroindol-1-yl)pyrimidin-2-yl]-sulfanylidene-λ4-sulfane
CID 141461598
(3S,4S,6R)-2-(hydroxymethyl)-6-[2-methoxy-4-(5-nitroindol-1-yl)phenoxy]oxane-3,4,5-triol
CID 70933904
[(3R,5R,6R)-3,4,5-triacetyloxy-6-[2-chloro-4-(5-nitroindol-1-yl)phenoxy]oxan-2-yl]methyl acetate
CID 118184496

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-nitroindole?
The IUPAC name of 1-(4-chlorophenyl)-5-nitroindole (CID 102404578) is 1-(4-chlorophenyl)-5-nitroindole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-nitroindole?
The canonical SMILES for 1-(4-chlorophenyl)-5-nitroindole is O=[N+]([O-])c1ccc2c(ccn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-nitroindole?
The InChIKey is NEHLYHNQKRWUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-1-3-12(4-2-11)16-8-7-10-9-13(17(18)19)5-6-14(10)16/h1-9H.
What are the key properties of 1-(4-chlorophenyl)-5-nitroindole?
1-(4-chlorophenyl)-5-nitroindole has a molecular weight of 272.69 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-nitroindole is sourced from PubChem (CID 102404578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).