3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

C16H10BrN3O2 — CID 135468043

IUPAC3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2cc(Br)ccc12
InChIInChI=1S/C16H10BrN3O2/c17-8-5-6-10-12(7-8)18-15(14(10)20-22)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,18-19,21H
InChIKeyRVWLZHDKLNTBLM-UHFFFAOYSA-N
MW356.18 g/mol
LogP5.18
Rot. Bonds2

About 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135468043) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135468043
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC Name3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2cc(Br)ccc12
InChIInChI=1S/C16H10BrN3O2/c17-8-5-6-10-12(7-8)18-15(14(10)20-22)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,18-19,21H
InChIKeyRVWLZHDKLNTBLM-UHFFFAOYSA-N
XLogP5.18
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.18
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135468043) is 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2cc(Br)ccc12.
What is the InChIKey of 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is RVWLZHDKLNTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c17-8-5-6-10-12(7-8)18-15(14(10)20-22)13-9-3-1-2-4-11(9)19-16(13)21/h1-7,18-19,21H.
What are the key properties of 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 356.18 g/mol, XLogP of 5.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135468043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).