1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol

C12H11ClFNO2 — CID 54033676

IUPAC1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(-c2ccc(Cl)cc2F)c1O
InChIInChI=1S/C12H11ClFNO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-5,16-17H,1-2H3
InChIKeyLHKBNCLOZAUEIE-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.30
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol

1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol (PubChem CID 54033676) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol
PubChem CID54033676
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(-c2ccc(Cl)cc2F)c1O
InChIInChI=1S/C12H11ClFNO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-5,16-17H,1-2H3
InChIKeyLHKBNCLOZAUEIE-UHFFFAOYSA-N
XLogP3.30
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol (CID 54033676) is 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol is Cc1c(C)c(O)n(-c2ccc(Cl)cc2F)c1O.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is LHKBNCLOZAUEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c1-6-7(2)12(17)15(11(6)16)10-4-3-8(13)5-9(10)14/h3-5,16-17H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol?
1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 255.68 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 54033676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).