1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine

C10H10BrFN2O2 — CID 2881925

IUPAC1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccc(N2CCCC2)c(F)c1Br
InChIInChI=1S/C10H10BrFN2O2/c11-9-7(14(15)16)3-4-8(10(9)12)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyODLITIUMOYSJHC-UHFFFAOYSA-N
MW289.10 g/mol
LogP3.10
Rot. Bonds2

About 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine

1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine (PubChem CID 2881925) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine
PubChem CID2881925
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC Name1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccc(N2CCCC2)c(F)c1Br
InChIInChI=1S/C10H10BrFN2O2/c11-9-7(14(15)16)3-4-8(10(9)12)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyODLITIUMOYSJHC-UHFFFAOYSA-N
XLogP3.10
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 53.10
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

1-(5-Bromo-2-fluoro-4-nitrophenyl)pyrrolidine
CID 4337037
1-(5-Bromo-2-fluoro-4-nitrophenyl)piperidine
CID 2871929
1-(5-Bromo-2-fluoro-4-nitrophenyl)-4-methylpiperidine
CID 3965258
Nsc157404
CID 291850
1-(2-Fluoro-4-nitrophenyl)pyrrolidine
CID 2872122
4-(5-Bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2871883
1-(3-Bromo-2-fluoro-4-nitro-phenyl)-piperidine
CID 627331
4-(3-Bromo-2-fluoro-4-nitrophenyl)morpholine
CID 2881751
1-(5-Bromo-2-fluoro-4-nitrophenyl)-4-methylpiperazine
CID 4166671
1-(3-Bromo-2-fluoro-4-nitrophenyl)-4-methylpiperazine
CID 2881835
1-(3-Bromo-2-fluoro-4-nitrophenyl)azepane
CID 2881906
1-(3-Bromo-2-fluoro-4-nitro-phenyl)-4-methyl-piperidine
CID 534733

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine?
The IUPAC name of 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine (CID 2881925) is 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine?
The canonical SMILES for 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine is O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1Br.
What is the InChIKey of 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine?
The InChIKey is ODLITIUMOYSJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c11-9-7(14(15)16)3-4-8(10(9)12)13-5-1-2-6-13/h3-4H,1-2,5-6H2.
What are the key properties of 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine?
1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine has a molecular weight of 289.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-4-nitrophenyl)pyrrolidine is sourced from PubChem (CID 2881925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).