1-bromo-2-methyl-4-nitronaphthalene

C11H8BrNO2 — CID 121218286

IUPAC1-bromo-2-methyl-4-nitronaphthalene
SMILESCc1cc([N+](=O)[O-])c2ccccc2c1Br
InChIInChI=1S/C11H8BrNO2/c1-7-6-10(13(14)15)8-4-2-3-5-9(8)11(7)12/h2-6H,1H3
InChIKeyAGCHLHCQCLRWOJ-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.82
Rot. Bonds1

About 1-bromo-2-methyl-4-nitronaphthalene

1-bromo-2-methyl-4-nitronaphthalene (PubChem CID 121218286) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-bromo-2-methyl-4-nitronaphthalene.

Molecular Properties

Compound Name1-bromo-2-methyl-4-nitronaphthalene
PubChem CID121218286
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-bromo-2-methyl-4-nitronaphthalene
SMILESCc1cc([N+](=O)[O-])c2ccccc2c1Br
InChIInChI=1S/C11H8BrNO2/c1-7-6-10(13(14)15)8-4-2-3-5-9(8)11(7)12/h2-6H,1H3
InChIKeyAGCHLHCQCLRWOJ-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

5-bromo-8-methyl-6-nitroquinoline
CID 11207866
3-bromo-2,4-dimethyl-6-nitroaniline
CID 5197660
2,4-dinitronaphthalene-1-thiol
CID 163754778
3-bromo-1-nitronaphthalene
CID 826291
N,N-dimethyl-2,4-dinitronaphthalen-1-amine
CID 71346683
1-chloro-2-(2-methylphenoxy)-4-nitronaphthalene
CID 156716095
9-bromo-10-nitrophenanthrene
CID 5166828
4-nitronaphthalene-1,2-diol
CID 54339442
1,2-dichloro-4-nitronaphthalene
CID 154116604
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
5-bromo-1-methyl-4-nitronaphthalene
CID 23395189
chrysene;6-nitrochrysene
CID 161186476

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-4-nitronaphthalene?
The IUPAC name of 1-bromo-2-methyl-4-nitronaphthalene (CID 121218286) is 1-bromo-2-methyl-4-nitronaphthalene.
What is the SMILES notation for 1-bromo-2-methyl-4-nitronaphthalene?
The canonical SMILES for 1-bromo-2-methyl-4-nitronaphthalene is Cc1cc([N+](=O)[O-])c2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-methyl-4-nitronaphthalene?
The InChIKey is AGCHLHCQCLRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c1-7-6-10(13(14)15)8-4-2-3-5-9(8)11(7)12/h2-6H,1H3.
What are the key properties of 1-bromo-2-methyl-4-nitronaphthalene?
1-bromo-2-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 1-bromo-2-methyl-4-nitronaphthalene is sourced from PubChem (CID 121218286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).