7-chloro-5-(2-nitrophenyl)-1H-indole

C14H9ClN2O2 — CID 90257456

IUPAC7-chloro-5-(2-nitrophenyl)-1H-indole
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C14H9ClN2O2/c15-12-8-10(7-9-5-6-16-14(9)12)11-3-1-2-4-13(11)17(18)19/h1-8,16H
InChIKeyRGHSHAYTLKJRHC-UHFFFAOYSA-N
MW272.69 g/mol
LogP4.40
Rot. Bonds2

About 7-chloro-5-(2-nitrophenyl)-1H-indole

7-chloro-5-(2-nitrophenyl)-1H-indole (PubChem CID 90257456) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 7-chloro-5-(2-nitrophenyl)-1H-indole.

Molecular Properties

Compound Name7-chloro-5-(2-nitrophenyl)-1H-indole
PubChem CID90257456
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name7-chloro-5-(2-nitrophenyl)-1H-indole
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C14H9ClN2O2/c15-12-8-10(7-9-5-6-16-14(9)12)11-3-1-2-4-13(11)17(18)19/h1-8,16H
InChIKeyRGHSHAYTLKJRHC-UHFFFAOYSA-N
XLogP4.40
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5-(2-nitrophenyl)-1-phenylindole
CID 90257458
7-(3-nitronaphthalen-2-yl)-1H-indole
CID 142729174
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
6-chloro-4-(2-nitrophenyl)-1H-indole
CID 90257503
5-nitro-7-(4-phenylphenyl)-1H-indole
CID 90152990
7-nitro-1H-indole;2-nitrophenol
CID 159038784
7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
CID 156627187
2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-nitrophenyl)-1H-indole?
The IUPAC name of 7-chloro-5-(2-nitrophenyl)-1H-indole (CID 90257456) is 7-chloro-5-(2-nitrophenyl)-1H-indole.
What is the SMILES notation for 7-chloro-5-(2-nitrophenyl)-1H-indole?
The canonical SMILES for 7-chloro-5-(2-nitrophenyl)-1H-indole is O=[N+]([O-])c1ccccc1-c1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of 7-chloro-5-(2-nitrophenyl)-1H-indole?
The InChIKey is RGHSHAYTLKJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-12-8-10(7-9-5-6-16-14(9)12)11-3-1-2-4-13(11)17(18)19/h1-8,16H.
What are the key properties of 7-chloro-5-(2-nitrophenyl)-1H-indole?
7-chloro-5-(2-nitrophenyl)-1H-indole has a molecular weight of 272.69 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-nitrophenyl)-1H-indole is sourced from PubChem (CID 90257456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).