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

C16H10BrN3O2 — CID 135580426

IUPAC5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(Br)cc23)[nH]c2ccccc12
InChIInChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
InChIKeyYSIKXXBSGNCIBA-UHFFFAOYSA-N
MW356.18 g/mol
LogP5.18
Rot. Bonds2

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

5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135580426) has the molecular formula C16H10BrN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135580426
Molecular FormulaC16H10BrN3O2
Molecular Weight356.18 g/mol
Exact Mass355.00
IUPAC Name5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(Br)cc23)[nH]c2ccccc12
InChIInChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
InChIKeyYSIKXXBSGNCIBA-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 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135580426) is 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3ccc(Br)cc23)[nH]c2ccccc12.
What is the InChIKey of 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is YSIKXXBSGNCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H.
What are the key properties of 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
5-bromo-3-(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 5-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135580426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).