6-chloro-4-(2-nitrophenyl)-1H-indole

C14H9ClN2O2 — CID 90257503

IUPAC6-chloro-4-(2-nitrophenyl)-1H-indole
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)cc2[nH]ccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-7-12(10-5-6-16-13(10)8-9)11-3-1-2-4-14(11)17(18)19/h1-8,16H
InChIKeyYEKMGCZQUCGXDF-UHFFFAOYSA-N
MW272.69 g/mol
LogP4.40
Rot. Bonds2

About 6-chloro-4-(2-nitrophenyl)-1H-indole

6-chloro-4-(2-nitrophenyl)-1H-indole (PubChem CID 90257503) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-chloro-4-(2-nitrophenyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-4-(2-nitrophenyl)-1H-indole
PubChem CID90257503
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-chloro-4-(2-nitrophenyl)-1H-indole
SMILESO=[N+]([O-])c1ccccc1-c1cc(Cl)cc2[nH]ccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-7-12(10-5-6-16-13(10)8-9)11-3-1-2-4-14(11)17(18)19/h1-8,16H
InChIKeyYEKMGCZQUCGXDF-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

4-(3-nitronaphthalen-2-yl)-1H-indole
CID 142729171
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2,5-dichloro-3-(2-nitrophenyl)thiophene
CID 125484560
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
7-chloro-5-(2-nitrophenyl)-1H-indole
CID 90257456
3-(5-chloro-2-nitrophenyl)fluoranthene
CID 134301029
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
3,6-bis(2-nitrophenyl)-9H-carbazole
CID 129277402
5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid
CID 90258661
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-nitrophenyl)-1H-indole?
The IUPAC name of 6-chloro-4-(2-nitrophenyl)-1H-indole (CID 90257503) is 6-chloro-4-(2-nitrophenyl)-1H-indole.
What is the SMILES notation for 6-chloro-4-(2-nitrophenyl)-1H-indole?
The canonical SMILES for 6-chloro-4-(2-nitrophenyl)-1H-indole is O=[N+]([O-])c1ccccc1-c1cc(Cl)cc2[nH]ccc12.
What is the InChIKey of 6-chloro-4-(2-nitrophenyl)-1H-indole?
The InChIKey is YEKMGCZQUCGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-9-7-12(10-5-6-16-13(10)8-9)11-3-1-2-4-14(11)17(18)19/h1-8,16H.
What are the key properties of 6-chloro-4-(2-nitrophenyl)-1H-indole?
6-chloro-4-(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 6-chloro-4-(2-nitrophenyl)-1H-indole is sourced from PubChem (CID 90257503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).