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

C16H9F2N3O2 — CID 135873230

IUPAC5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(F)cc23)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H9F2N3O2/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
InChIKeyZJHXTYFJURYDFL-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.70
Rot. Bonds2

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

5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (PubChem CID 135873230) has the molecular formula C16H9F2N3O2 and a molecular weight of 313.26 g/mol. Its IUPAC name is 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
PubChem CID135873230
Molecular FormulaC16H9F2N3O2
Molecular Weight313.26 g/mol
Exact Mass313.07
IUPAC Name5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
SMILESO=Nc1c(-c2c(O)[nH]c3ccc(F)cc23)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H9F2N3O2/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
InChIKeyZJHXTYFJURYDFL-UHFFFAOYSA-N
XLogP4.70
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Indirubin-3'-monoxime
CID 3707
6-Bromoindirubin-3'-oxime
CID 448949
Indirubin deriv. 8h
CID 135434954
Isatin-3-oxime
CID 69084
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
7-bromo-3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one
CID 135423792
Indirubin deriv. 9b
CID 135434955
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837
Drak2-IN-1
CID 136175114
5-iodo-Indirubin-3'-monoxime
CID 403176
5'-Fluoroindirubinoxime
CID 135398503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol (CID 135873230) is 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is O=Nc1c(-c2c(O)[nH]c3ccc(F)cc23)[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
The InChIKey is ZJHXTYFJURYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O2/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-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol?
5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol has a molecular weight of 313.26 g/mol, XLogP of 4.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(5-fluoro-3-nitroso-1H-indol-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 135873230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).