1-bromo-2-methyl-8-nitronaphthalene

C11H8BrNO2 — CID 15189474

IUPAC1-bromo-2-methyl-8-nitronaphthalene
SMILESCc1ccc2cccc([N+](=O)[O-])c2c1Br
InChIInChI=1S/C11H8BrNO2/c1-7-5-6-8-3-2-4-9(13(14)15)10(8)11(7)12/h2-6H,1H3
InChIKeySHFRBYYZJZDSJV-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.82
Rot. Bonds1

About 1-bromo-2-methyl-8-nitronaphthalene

1-bromo-2-methyl-8-nitronaphthalene (PubChem CID 15189474) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-bromo-2-methyl-8-nitronaphthalene.

Molecular Properties

Compound Name1-bromo-2-methyl-8-nitronaphthalene
PubChem CID15189474
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-bromo-2-methyl-8-nitronaphthalene
SMILESCc1ccc2cccc([N+](=O)[O-])c2c1Br
InChIInChI=1S/C11H8BrNO2/c1-7-5-6-8-3-2-4-9(13(14)15)10(8)11(7)12/h2-6H,1H3
InChIKeySHFRBYYZJZDSJV-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

1-bromo-2-[2-(2-bromo-3-nitrophenyl)ethenyl]-8-nitronaphthalene
CID 141350755
4-nitrophenanthrene
CID 139058403
ethane;8-nitronaphthalen-1-amine
CID 143448264
5-bromo-1-methyl-4-nitronaphthalene
CID 23395189
4-bromo-2-methyl-5-nitroquinazoline
CID 106584479
2-bromo-3-methyl-6-nitrophenol;ethane
CID 143941007
1,5,9-trinitrotriphenylene
CID 86227277
(1S,2S)-1,2-dibromo-3-nitro-1,2-dihydroacenaphthylene
CID 15353330
2-bromo-3-methyl-6-nitrobenzonitrile
CID 131028364
1-(2-bromo-3-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 107983827
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-8-nitronaphthalene?
The IUPAC name of 1-bromo-2-methyl-8-nitronaphthalene (CID 15189474) is 1-bromo-2-methyl-8-nitronaphthalene.
What is the SMILES notation for 1-bromo-2-methyl-8-nitronaphthalene?
The canonical SMILES for 1-bromo-2-methyl-8-nitronaphthalene is Cc1ccc2cccc([N+](=O)[O-])c2c1Br.
What is the InChIKey of 1-bromo-2-methyl-8-nitronaphthalene?
The InChIKey is SHFRBYYZJZDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7-5-6-8-3-2-4-9(13(14)15)10(8)11(7)12/h2-6H,1H3.
What are the key properties of 1-bromo-2-methyl-8-nitronaphthalene?
1-bromo-2-methyl-8-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 1-bromo-2-methyl-8-nitronaphthalene is sourced from PubChem (CID 15189474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).