5-bromo-1-methyl-4-nitronaphthalene

C11H8BrNO2 — CID 23395189

IUPAC5-bromo-1-methyl-4-nitronaphthalene
SMILESCc1ccc([N+](=O)[O-])c2c(Br)cccc12
InChIInChI=1S/C11H8BrNO2/c1-7-5-6-10(13(14)15)11-8(7)3-2-4-9(11)12/h2-6H,1H3
InChIKeyTVOWGRBWYDHXTA-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.82
Rot. Bonds1

About 5-bromo-1-methyl-4-nitronaphthalene

5-bromo-1-methyl-4-nitronaphthalene (PubChem CID 23395189) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 5-bromo-1-methyl-4-nitronaphthalene.

Molecular Properties

Compound Name5-bromo-1-methyl-4-nitronaphthalene
PubChem CID23395189
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name5-bromo-1-methyl-4-nitronaphthalene
SMILESCc1ccc([N+](=O)[O-])c2c(Br)cccc12
InChIInChI=1S/C11H8BrNO2/c1-7-5-6-10(13(14)15)11-8(7)3-2-4-9(11)12/h2-6H,1H3
InChIKeyTVOWGRBWYDHXTA-UHFFFAOYSA-N
XLogP3.82
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.82
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

8-bromo-4-nitronaphthalen-1-ol
CID 10516017
1-bromo-2-methyl-8-nitronaphthalene
CID 15189474
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873
1,5,9-trinitrotriphenylene
CID 86227277
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
1-bromo-6-nitrodibenzofuran
CID 142427337
1-bromo-2-nitrobenzene;ethane
CID 91072043
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
1-bromo-2-methyl-4-nitronaphthalene
CID 121218286
1-bromo-2-nitrobenzene
CID 158366116
4-bromo-2-methyl-5-nitroquinazoline
CID 106584479

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-4-nitronaphthalene?
The IUPAC name of 5-bromo-1-methyl-4-nitronaphthalene (CID 23395189) is 5-bromo-1-methyl-4-nitronaphthalene.
What is the SMILES notation for 5-bromo-1-methyl-4-nitronaphthalene?
The canonical SMILES for 5-bromo-1-methyl-4-nitronaphthalene is Cc1ccc([N+](=O)[O-])c2c(Br)cccc12.
What is the InChIKey of 5-bromo-1-methyl-4-nitronaphthalene?
The InChIKey is TVOWGRBWYDHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7-5-6-10(13(14)15)11-8(7)3-2-4-9(11)12/h2-6H,1H3.
What are the key properties of 5-bromo-1-methyl-4-nitronaphthalene?
5-bromo-1-methyl-4-nitronaphthalene has a molecular weight of 266.09 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-4-nitronaphthalene is sourced from PubChem (CID 23395189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).