3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one

C14H9ClINO3 — CID 10294489

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
SMILESO=C1Nc2cc(I)ccc2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9ClINO3/c15-7-1-4-12(18)10(5-7)14(20)9-3-2-8(16)6-11(9)17-13(14)19/h1-6,18,20H,(H,17,19)
InChIKeySYESSEMOFSIBDA-UHFFFAOYSA-N
MW401.59 g/mol
LogP2.84
Rot. Bonds1

About 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one

3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one (PubChem CID 10294489) has the molecular formula C14H9ClINO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
PubChem CID10294489
Molecular FormulaC14H9ClINO3
Molecular Weight401.59 g/mol
Exact Mass400.93
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
SMILESO=C1Nc2cc(I)ccc2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9ClINO3/c15-7-1-4-12(18)10(5-7)14(20)9-3-2-8(16)6-11(9)17-13(14)19/h1-6,18,20H,(H,17,19)
InChIKeySYESSEMOFSIBDA-UHFFFAOYSA-N
XLogP2.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
CID 7353938
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10970879
3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11145115
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 18753035
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 122490665
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one
CID 101433323
6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
CID 3794855
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499
(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
CID 178002990

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one (CID 10294489) is 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one is O=C1Nc2cc(I)ccc2C1(O)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one?
The InChIKey is SYESSEMOFSIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO3/c15-7-1-4-12(18)10(5-7)14(20)9-3-2-8(16)6-11(9)17-13(14)19/h1-6,18,20H,(H,17,19).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one?
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one has a molecular weight of 401.59 g/mol, XLogP of 2.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one is sourced from PubChem (CID 10294489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).