7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

C16H10IN3O2 — CID 135423793

IUPAC7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3c(I)cccc23)[nH]c2ccccc12
InChIInChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
InChIKeyANUAVLXUJWJMIJ-UHFFFAOYSA-N
MW403.18 g/mol
LogP5.02
Rot. Bonds2

About 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135423793) has the molecular formula C16H10IN3O2 and a molecular weight of 403.18 g/mol. Its IUPAC name is 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135423793
Molecular FormulaC16H10IN3O2
Molecular Weight403.18 g/mol
Exact Mass402.98
IUPAC Name7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3c(I)cccc23)[nH]c2ccccc12
InChIInChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
InChIKeyANUAVLXUJWJMIJ-UHFFFAOYSA-N
XLogP5.02
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.18
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135423793) is 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3c(I)cccc23)[nH]c2ccccc12.
What is the InChIKey of 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is ANUAVLXUJWJMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H.
What are the key properties of 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 403.18 g/mol, XLogP of 5.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135423793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).