5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

C16H9Cl2N3O2 — CID 135873221

IUPAC5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(Cl)cc23)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,19-20,22H
InChIKeyUQGXOZUTENQISS-UHFFFAOYSA-N
MW346.17 g/mol
LogP5.73
Rot. Bonds2

About 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135873221) has the molecular formula C16H9Cl2N3O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135873221
Molecular FormulaC16H9Cl2N3O2
Molecular Weight346.17 g/mol
Exact Mass345.01
IUPAC Name5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(Cl)cc23)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,19-20,22H
InChIKeyUQGXOZUTENQISS-UHFFFAOYSA-N
XLogP5.73
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.17
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135873221) is 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3ccc(Cl)cc23)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is UQGXOZUTENQISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,19-20,22H.
What are the key properties of 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 346.17 g/mol, XLogP of 5.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chloro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135873221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).