5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

C16H9Cl2N3O2 — CID 135499828

IUPAC5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3cc(Cl)c(Cl)cc23)[nH]c2ccccc12
InChIInChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,19-20,22H
InChIKeyAYSFEKIVJXIJTM-UHFFFAOYSA-N
MW346.17 g/mol
LogP5.73
Rot. Bonds2

About 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135499828) has the molecular formula C16H9Cl2N3O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135499828
Molecular FormulaC16H9Cl2N3O2
Molecular Weight346.17 g/mol
Exact Mass345.01
IUPAC Name5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3cc(Cl)c(Cl)cc23)[nH]c2ccccc12
InChIInChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,19-20,22H
InChIKeyAYSFEKIVJXIJTM-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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Related Compounds

7-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
CID 135779816
6-[(2S)-2-bromo-2-(2-hydroxyethoxy)ethyl]-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
CID 174214658
6-methyl-3-(3-nitroso-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indol-2-ol
CID 135878293
3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 3629318
2,3-bis(2-chlorophenyl)-1H-indole
CID 132600701
3-[3-(phenyliminomethyl)-1H-indol-2-yl]-1H-indol-2-ol
CID 168852579
3-(5,6-difluoro-3-nitroso-1H-indol-2-yl)-1-methylindol-2-ol
CID 136934890
5-chloro-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
CID 158774254
2-(1H-imidazol-5-yl)-3-nitroso-1H-indole
CID 122592451
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
3-[(2-chloro-4,6-dimethylphenyl)iminomethyl]-1H-indol-2-ol
CID 136995976
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135499828) is 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3cc(Cl)c(Cl)cc23)[nH]c2ccccc12.
What is the InChIKey of 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is AYSFEKIVJXIJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3O2/c17-9-5-8-12(6-10(9)18)20-16(22)13(8)15-14(21-23)7-3-1-2-4-11(7)19-15/h1-6,19-20,22H.
What are the key properties of 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
5,6-dichloro-3-(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 5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135499828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).