5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one

C10H11BrNO5P — CID 2881930

IUPAC5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one
SMILESCOP(=O)(OC)C1(O)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H11BrNO5P/c1-16-18(15,17-2)10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,1-2H3,(H,12,13)
InChIKeyBCZMAKQAAIAQAY-UHFFFAOYSA-N
MW336.08 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one

5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one (PubChem CID 2881930) has the molecular formula C10H11BrNO5P and a molecular weight of 336.08 g/mol. Its IUPAC name is 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one
PubChem CID2881930
Molecular FormulaC10H11BrNO5P
Molecular Weight336.08 g/mol
Exact Mass334.96
IUPAC Name5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one
SMILESCOP(=O)(OC)C1(O)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C10H11BrNO5P/c1-16-18(15,17-2)10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,1-2H3,(H,12,13)
InChIKeyBCZMAKQAAIAQAY-UHFFFAOYSA-N
XLogP2.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.08
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one
CID 4256987
5-bromo-3-(4-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5297654
5-bromo-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 2804937
diethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2881738
Indol-2-one, 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-
CID 6420242
5-Bromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 53471
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
CID 2895217
diisopropyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2896566
diisopropyl (5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2897685
5-bromo-3-hydroxy-3-(2-oxocycloheptyl)-1H-indol-2-one
CID 304798
diethyl (5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)phosphonate
CID 2881740
5-bromo-3-hydroxy-3-(trifluoromethyl)-2,3-dihydro-1H-indol-2-one
CID 3426524

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one (CID 2881930) is 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one is COP(=O)(OC)C1(O)C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one?
The InChIKey is BCZMAKQAAIAQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrNO5P/c1-16-18(15,17-2)10(14)7-5-6(11)3-4-8(7)12-9(10)13/h3-5,14H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one?
5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one has a molecular weight of 336.08 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-dimethoxyphosphoryl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2881930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).