1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole

C13H13BrFN — CID 107592754

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
SMILESCc1cc(F)c(Br)cc1-n1c(C)ccc1C
InChIInChI=1S/C13H13BrFN/c1-8-6-12(15)11(14)7-13(8)16-9(2)4-5-10(16)3/h4-7H,1-3H3
InChIKeyDMPXNXXSFXDKLK-UHFFFAOYSA-N
MW282.16 g/mol
LogP4.30
Rot. Bonds1

About 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole

1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole (PubChem CID 107592754) has the molecular formula C13H13BrFN and a molecular weight of 282.16 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
PubChem CID107592754
Molecular FormulaC13H13BrFN
Molecular Weight282.16 g/mol
Exact Mass281.02
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole
SMILESCc1cc(F)c(Br)cc1-n1c(C)ccc1C
InChIInChI=1S/C13H13BrFN/c1-8-6-12(15)11(14)7-13(8)16-9(2)4-5-10(16)3/h4-7H,1-3H3
InChIKeyDMPXNXXSFXDKLK-UHFFFAOYSA-N
XLogP4.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-4-fluoro-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107594143
1-(4-bromo-3-fluorophenyl)-2,5-dimethylpyrrole
CID 65436413
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107593132
3-(5-bromo-4-fluoro-2-methylphenyl)-7-chloro-1H-benzimidazole-2-thione
CID 107593025
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dimethoxyazetidine
CID 107592763
4-(5-bromo-4-fluoro-2-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 107592991
3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
CID 107590496
2-(5-bromo-4-fluoro-2-methylphenyl)-2-azaspiro[3.5]nonane
CID 107592764
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole (CID 107592754) is 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole is Cc1cc(F)c(Br)cc1-n1c(C)ccc1C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole?
The InChIKey is DMPXNXXSFXDKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN/c1-8-6-12(15)11(14)7-13(8)16-9(2)4-5-10(16)3/h4-7H,1-3H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole?
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole has a molecular weight of 282.16 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 107592754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).