3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol

C12H9ClN2O2 — CID 90829094

IUPAC3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
SMILESOc1cc(-c2c[nH]c3ccc(Cl)cc23)c(O)[nH]1
InChIInChI=1S/C12H9ClN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-5,14-17H
InChIKeyJPWUMVDWRIIQMD-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.23
Rot. Bonds1

About 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol

3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol (PubChem CID 90829094) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
PubChem CID90829094
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
SMILESOc1cc(-c2c[nH]c3ccc(Cl)cc23)c(O)[nH]1
InChIInChI=1S/C12H9ClN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-5,14-17H
InChIKeyJPWUMVDWRIIQMD-UHFFFAOYSA-N
XLogP3.23
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 71101477
5-chloro-3-iodo-1H-indole
CID 2762969
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941463
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
7-chloro-4-(1H-indol-3-yl)-1H-quinolin-2-one
CID 138961466
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol (CID 90829094) is 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol is Oc1cc(-c2c[nH]c3ccc(Cl)cc23)c(O)[nH]1.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol?
The InChIKey is JPWUMVDWRIIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-5,14-17H.
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol?
3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol has a molecular weight of 248.67 g/mol, XLogP of 3.23, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 90829094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).