5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one

C11H6INOS — CID 167294920

IUPAC5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one
SMILESO=c1cc[nH]c2sc3cccc(I)c3c12
InChIInChI=1S/C11H6INOS/c12-6-2-1-3-8-9(6)10-7(14)4-5-13-11(10)15-8/h1-5H,(H,13,14)
InChIKeyZEVVVRBVWUPHKS-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.35
Rot. Bonds

About 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one

5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one (PubChem CID 167294920) has the molecular formula C11H6INOS and a molecular weight of 327.15 g/mol. Its IUPAC name is 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one
PubChem CID167294920
Molecular FormulaC11H6INOS
Molecular Weight327.15 g/mol
Exact Mass326.92
IUPAC Name5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one
SMILESO=c1cc[nH]c2sc3cccc(I)c3c12
InChIInChI=1S/C11H6INOS/c12-6-2-1-3-8-9(6)10-7(14)4-5-13-11(10)15-8/h1-5H,(H,13,14)
InChIKeyZEVVVRBVWUPHKS-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one
CID 57494354
4-iodo-1,2-benzothiazol-3-one
CID 166608692
3-fluoro-4-iodo-1-benzothiophene-2-carbaldehyde
CID 131219098
4-iodo-3-methyl-1-benzothiophen-2-ol
CID 130987143
4-iodo-1,2-dihydroindazol-3-one
CID 24728222
3-fluoro-4-iodo-2-methoxy-1-benzothiophene
CID 131145524
3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
CID 130788534
5,6,7-trifluoro-1H-quinolin-4-one
CID 62813764
dibenzothiophene-1,9-disulfonic acid
CID 90970475
3-(hydroxymethyl)-4-iodo-1-benzothiophene-2-carbonitrile
CID 130971089
5-phenyl-1H-quinolin-4-one
CID 155929320
2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one
CID 57269363

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one?
The IUPAC name of 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one (CID 167294920) is 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one.
What is the SMILES notation for 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one?
The canonical SMILES for 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one is O=c1cc[nH]c2sc3cccc(I)c3c12.
What is the InChIKey of 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one?
The InChIKey is ZEVVVRBVWUPHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6INOS/c12-6-2-1-3-8-9(6)10-7(14)4-5-13-11(10)15-8/h1-5H,(H,13,14).
What are the key properties of 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one?
5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one has a molecular weight of 327.15 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1H-[1]benzothiolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 167294920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).