3-(4-bromo-2-nitrophenyl)-1H-indene

C15H10BrNO2 — CID 159888839

IUPAC3-(4-bromo-2-nitrophenyl)-1H-indene
SMILESO=[N+]([O-])c1cc(Br)ccc1C1=CCc2ccccc21
InChIInChI=1S/C15H10BrNO2/c16-11-6-8-14(15(9-11)17(18)19)13-7-5-10-3-1-2-4-12(10)13/h1-4,6-9H,5H2
InChIKeyKCKKWFHRWFOMQQ-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.35
Rot. Bonds2

About 3-(4-bromo-2-nitrophenyl)-1H-indene

3-(4-bromo-2-nitrophenyl)-1H-indene (PubChem CID 159888839) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 3-(4-bromo-2-nitrophenyl)-1H-indene.

Molecular Properties

Compound Name3-(4-bromo-2-nitrophenyl)-1H-indene
PubChem CID159888839
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name3-(4-bromo-2-nitrophenyl)-1H-indene
SMILESO=[N+]([O-])c1cc(Br)ccc1C1=CCc2ccccc21
InChIInChI=1S/C15H10BrNO2/c16-11-6-8-14(15(9-11)17(18)19)13-7-5-10-3-1-2-4-12(10)13/h1-4,6-9H,5H2
InChIKeyKCKKWFHRWFOMQQ-UHFFFAOYSA-N
XLogP4.35
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
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-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
21-(4-bromo-2-nitrophenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 138728383
2-(4-bromo-2-nitrophenyl)-9,9-dimethylfluorene
CID 58501439
4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
CID 140870774
4-bromo-1-(4-bromo-6,6-dinitrocyclohexa-1,3-dien-1-yl)-2-nitrobenzene
CID 142790671
2-(4-bromo-2-nitrophenyl)-1-phenylindole
CID 118197296
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
6,12-bis(5-bromo-2-nitrophenyl)chrysene
CID 87414674
3-bromo-5-chloro-9H-fluorene;4-bromo-2-(2-chlorophenyl)-1-nitrobenzene
CID 157150544
4-bromo-2-nitro-1-phenylmethoxybenzene
CID 11278242
2-bromo-5H-benzo[a]carbazole
CID 162373397
5-bromo-2-nitroaniline;methane
CID 139511978

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-nitrophenyl)-1H-indene?
The IUPAC name of 3-(4-bromo-2-nitrophenyl)-1H-indene (CID 159888839) is 3-(4-bromo-2-nitrophenyl)-1H-indene.
What is the SMILES notation for 3-(4-bromo-2-nitrophenyl)-1H-indene?
The canonical SMILES for 3-(4-bromo-2-nitrophenyl)-1H-indene is O=[N+]([O-])c1cc(Br)ccc1C1=CCc2ccccc21.
What is the InChIKey of 3-(4-bromo-2-nitrophenyl)-1H-indene?
The InChIKey is KCKKWFHRWFOMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-11-6-8-14(15(9-11)17(18)19)13-7-5-10-3-1-2-4-12(10)13/h1-4,6-9H,5H2.
What are the key properties of 3-(4-bromo-2-nitrophenyl)-1H-indene?
3-(4-bromo-2-nitrophenyl)-1H-indene has a molecular weight of 316.15 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-nitrophenyl)-1H-indene is sourced from PubChem (CID 159888839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).