6-chloro-1-oxido-2-phenylindol-1-ium-3-one

C14H8ClNO2 — CID 11172921

IUPAC6-chloro-1-oxido-2-phenylindol-1-ium-3-one
SMILESO=C1C(c2ccccc2)=[N+]([O-])c2cc(Cl)ccc21
InChIInChI=1S/C14H8ClNO2/c15-10-6-7-11-12(8-10)16(18)13(14(11)17)9-4-2-1-3-5-9/h1-8H
InChIKeyYYPUVYPFZAUPRW-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.17
Rot. Bonds1

About 6-chloro-1-oxido-2-phenylindol-1-ium-3-one

6-chloro-1-oxido-2-phenylindol-1-ium-3-one (PubChem CID 11172921) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-1-oxido-2-phenylindol-1-ium-3-one.

Molecular Properties

Compound Name6-chloro-1-oxido-2-phenylindol-1-ium-3-one
PubChem CID11172921
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name6-chloro-1-oxido-2-phenylindol-1-ium-3-one
SMILESO=C1C(c2ccccc2)=[N+]([O-])c2cc(Cl)ccc21
InChIInChI=1S/C14H8ClNO2/c15-10-6-7-11-12(8-10)16(18)13(14(11)17)9-4-2-1-3-5-9/h1-8H
InChIKeyYYPUVYPFZAUPRW-UHFFFAOYSA-N
XLogP3.17
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-oxido-2-phenylindol-1-ium-3-one
CID 177414044
2-(4-fluorophenyl)-1-oxidoindol-1-ium-3-one
CID 44820411
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
7-chloro-1-ethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one
CID 13188725
7-chloro-2,3-diphenyl-4-sulfanylidenenaphthalen-1-one
CID 88621365
3,5-bis(4-chlorophenyl)-1,2-dioxidopyrazole-1,2-diium-4-one
CID 10759206
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
3-chlorophenanthrene-9,10-dione
CID 67151037
7-chloro-4-oxido-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-4-ium-2-one
CID 23332695
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
6-chloro-3-phenyl-2-trimethylsilylinden-1-one
CID 102078597

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-oxido-2-phenylindol-1-ium-3-one?
The IUPAC name of 6-chloro-1-oxido-2-phenylindol-1-ium-3-one (CID 11172921) is 6-chloro-1-oxido-2-phenylindol-1-ium-3-one.
What is the SMILES notation for 6-chloro-1-oxido-2-phenylindol-1-ium-3-one?
The canonical SMILES for 6-chloro-1-oxido-2-phenylindol-1-ium-3-one is O=C1C(c2ccccc2)=[N+]([O-])c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-oxido-2-phenylindol-1-ium-3-one?
The InChIKey is YYPUVYPFZAUPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-10-6-7-11-12(8-10)16(18)13(14(11)17)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 6-chloro-1-oxido-2-phenylindol-1-ium-3-one?
6-chloro-1-oxido-2-phenylindol-1-ium-3-one has a molecular weight of 257.68 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-oxido-2-phenylindol-1-ium-3-one is sourced from PubChem (CID 11172921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).