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

C10H8ClNO2 — CID 54181433

IUPAC1-(2-chlorophenyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1-c1ccccc1Cl
InChIInChI=1S/C10H8ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6,13-14H
InChIKeyPCBXSEXFJONUNF-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.54
Rot. Bonds1

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

1-(2-chlorophenyl)pyrrole-2,5-diol (PubChem CID 54181433) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-(2-chlorophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2-chlorophenyl)pyrrole-2,5-diol
PubChem CID54181433
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-(2-chlorophenyl)pyrrole-2,5-diol
SMILESOc1ccc(O)n1-c1ccccc1Cl
InChIInChI=1S/C10H8ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6,13-14H
InChIKeyPCBXSEXFJONUNF-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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Related Compounds

1-(2-chlorophenyl)-2,5-dimethylpyrrole
CID 4763653
tetramethyl 1-(2-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate
CID 44632136
2-(2-chlorophenyl)-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 90995265
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
bis(2-chlorophenol);tungsten
CID 88625581
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
1-(2-chlorophenyl)-2-iodobenzimidazole
CID 135367836
4-(benzyliminomethyl)-2-(2-chlorophenyl)-3-hydroxyisoquinolin-1-one
CID 4081221
2-[[2-(2-chlorophenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]thiophene-3-carbonitrile
CID 137132847
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
1-(2-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 882440
4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(2-chlorophenyl)pyrrole-2,5-diol (CID 54181433) is 1-(2-chlorophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2-chlorophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2-chlorophenyl)pyrrole-2,5-diol is Oc1ccc(O)n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)pyrrole-2,5-diol?
The InChIKey is PCBXSEXFJONUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6,13-14H.
What are the key properties of 1-(2-chlorophenyl)pyrrole-2,5-diol?
1-(2-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-(2-chlorophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54181433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).