1-(3-chlorophenyl)pyrrole-2,5-diol

C10H8ClNO2 — CID 54359620

IUPAC1-(3-chlorophenyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1-c1cccc(Cl)c1
InChIInChI=1S/C10H8ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6,13-14H
InChIKeyULOSLUQSHJNMJF-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.54
Rot. Bonds1

About 1-(3-chlorophenyl)pyrrole-2,5-diol

1-(3-chlorophenyl)pyrrole-2,5-diol (PubChem CID 54359620) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(3-chlorophenyl)pyrrole-2,5-diol
PubChem CID54359620
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-(3-chlorophenyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1-c1cccc(Cl)c1
InChIInChI=1S/C10H8ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6,13-14H
InChIKeyULOSLUQSHJNMJF-UHFFFAOYSA-N
XLogP2.54
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(3-chlorophenyl)pyrrole-2,5-diol (CID 54359620) is 1-(3-chlorophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(3-chlorophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(3-chlorophenyl)pyrrole-2,5-diol is Oc1ccc(O)n1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)pyrrole-2,5-diol?
The InChIKey is ULOSLUQSHJNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6,13-14H.
What are the key properties of 1-(3-chlorophenyl)pyrrole-2,5-diol?
1-(3-chlorophenyl)pyrrole-2,5-diol has a molecular weight of 209.63 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54359620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).