2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one

C22H14N3O3+ — CID 152989746

IUPAC2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one
SMILESO=C1C(c2c(O)c3ccccc3n2C(=O)c2cccc[nH+]2)=Nc2ccccc21
InChIInChI=1S/C22H13N3O3/c26-20-13-7-1-3-9-15(13)24-18(20)19-21(27)14-8-2-4-11-17(14)25(19)22(28)16-10-5-6-12-23-16/h1-12,27H/p+1
InChIKeyOFFACMFCDFTONI-UHFFFAOYSA-O
MW368.37 g/mol
LogP3.17
Rot. Bonds2

About 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one

2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one (PubChem CID 152989746) has the molecular formula C22H14N3O3+ and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one.

Molecular Properties

Compound Name2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one
PubChem CID152989746
Molecular FormulaC22H14N3O3+
Molecular Weight368.37 g/mol
Exact Mass368.10
IUPAC Name2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one
SMILESO=C1C(c2c(O)c3ccccc3n2C(=O)c2cccc[nH+]2)=Nc2ccccc21
InChIInChI=1S/C22H13N3O3/c26-20-13-7-1-3-9-15(13)24-18(20)19-21(27)14-8-2-4-11-17(14)25(19)22(28)16-10-5-6-12-23-16/h1-12,27H/p+1
InChIKeyOFFACMFCDFTONI-UHFFFAOYSA-O
XLogP3.17
TPSA85.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxy-1-(piperidine-1-carbonyl)indol-3-yl]indol-3-one
CID 168852584
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
2-(3-hydroxy-1,4-diiodoindol-2-yl)indol-3-one
CID 137222197
2-(3-hydroxy-1H-indol-2-yl)indol-3-one
CID 10215
2-[3-hydroxy-1-(pyridine-4-carbonyl)indol-2-yl]-1-(pyridine-4-carbonyl)indol-1-ium-3-one
CID 142611411
[2-hydroxy-3-(3-oxoindol-2-yl)indol-1-yl]methyl methanesulfonate
CID 170080970
2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 135911864
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
CID 3843472
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135423851
2-(4-bromophenyl)indol-3-one
CID 2312809
2-(4-hydroxy-3-phenyl-1,2-oxazol-5-yl)indol-3-one
CID 135975995
2-(3-bromophenyl)indol-3-one
CID 2336615

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one?
The IUPAC name of 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one (CID 152989746) is 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one.
What is the SMILES notation for 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one?
The canonical SMILES for 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one is O=C1C(c2c(O)c3ccccc3n2C(=O)c2cccc[nH+]2)=Nc2ccccc21.
What is the InChIKey of 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one?
The InChIKey is OFFACMFCDFTONI-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H13N3O3/c26-20-13-7-1-3-9-15(13)24-18(20)19-21(27)14-8-2-4-11-17(14)25(19)22(28)16-10-5-6-12-23-16/h1-12,27H/p+1.
What are the key properties of 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one?
2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one has a molecular weight of 368.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-(pyridin-1-ium-2-carbonyl)indol-2-yl]indol-3-one is sourced from PubChem (CID 152989746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).