1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine

C11H13BrN2O2 — CID 139034981

IUPAC1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
SMILESCc1cc([N+](=O)[O-])c(N2CCCC2)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-8-6-11(14(15)16)10(7-9(8)12)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKeyMUQFISYMVULLHI-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.27
Rot. Bonds2

About 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine

1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine (PubChem CID 139034981) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
PubChem CID139034981
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
SMILESCc1cc([N+](=O)[O-])c(N2CCCC2)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-8-6-11(14(15)16)10(7-9(8)12)13-4-2-3-5-13/h6-7H,2-5H2,1H3
InChIKeyMUQFISYMVULLHI-UHFFFAOYSA-N
XLogP3.27
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)acetamide
CID 540733
1-(2-bromo-3,4-dimethyl-6-nitrophenyl)pyrrolidine
CID 168513229
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)thiourea
CID 169356342
2,4-dinitro-5-piperidin-1-ylaniline
CID 17352651
1-(4-bromo-5-butoxy-2-nitrophenyl)pyrrolidine
CID 168512257
1-(2-bromo-5-methoxy-4-nitrophenyl)pyrrolidine
CID 169490477
1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
2-bromo-5-nitro-4-piperidin-1-ylpyridine
CID 137390842
1-(4-bromo-2-methyl-6-nitrophenyl)piperidine
CID 151284245
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidine
CID 39732315
5-bromo-4-methyl-2-nitrophenol
CID 82184524

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine?
The IUPAC name of 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine (CID 139034981) is 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine.
What is the SMILES notation for 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine?
The canonical SMILES for 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine is Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1Br.
What is the InChIKey of 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine?
The InChIKey is MUQFISYMVULLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-8-6-11(14(15)16)10(7-9(8)12)13-4-2-3-5-13/h6-7H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine?
1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine has a molecular weight of 285.14 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine is sourced from PubChem (CID 139034981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).