2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one

C16H8ClFN2O2 — CID 135873261

IUPAC2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one
SMILESO=C1C(c2c(O)[nH]c3ccc(Cl)cc23)=Nc2ccc(F)cc21
InChIInChI=1S/C16H8ClFN2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H
InChIKeyKVQVRVHQPJSNTK-UHFFFAOYSA-N
MW314.70 g/mol
LogP3.98
Rot. Bonds1

About 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one

2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one (PubChem CID 135873261) has the molecular formula C16H8ClFN2O2 and a molecular weight of 314.70 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one
PubChem CID135873261
Molecular FormulaC16H8ClFN2O2
Molecular Weight314.70 g/mol
Exact Mass314.03
IUPAC Name2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one
SMILESO=C1C(c2c(O)[nH]c3ccc(Cl)cc23)=Nc2ccc(F)cc21
InChIInChI=1S/C16H8ClFN2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H
InChIKeyKVQVRVHQPJSNTK-UHFFFAOYSA-N
XLogP3.98
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135873274
2-(5-amino-2-hydroxy-1H-indol-3-yl)-5-bromoindol-3-one
CID 135971466
5-bromo-2-(5,7-dichloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135779805
5-fluoro-3-[5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 142579241
5-fluoro-3-(3H-indol-2-yl)-1H-indol-2-ol
CID 170658220
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135423851
5-fluoro-3-[(3E)-5-fluoro-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
CID 142752483
2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
CID 135878278
5-ethynyl-2-(5-ethynyl-3-hydroxy-1H-indol-2-yl)indol-3-one
CID 177407103
2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate
CID 4019563
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-[[2-(5-chloro-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetamide
CID 174104439
2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
CID 135404314

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one?
The IUPAC name of 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one (CID 135873261) is 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one.
What is the SMILES notation for 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one?
The canonical SMILES for 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one is O=C1C(c2c(O)[nH]c3ccc(Cl)cc23)=Nc2ccc(F)cc21.
What is the InChIKey of 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one?
The InChIKey is KVQVRVHQPJSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN2O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)14-15(21)10-6-8(18)2-4-12(10)19-14/h1-6,20,22H.
What are the key properties of 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one?
2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one has a molecular weight of 314.70 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one is sourced from PubChem (CID 135873261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).