1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone

C11H8INOS — CID 115799235

IUPAC1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1csc(I)c1
InChIInChI=1S/C11H8INOS/c12-11-5-9(7-15-11)10(14)4-8-2-1-3-13-6-8/h1-3,5-7H,4H2
InChIKeyYUBWKFROUZTMMP-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.17
Rot. Bonds3

About 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone

1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone (PubChem CID 115799235) has the molecular formula C11H8INOS and a molecular weight of 329.16 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
PubChem CID115799235
Molecular FormulaC11H8INOS
Molecular Weight329.16 g/mol
Exact Mass328.94
IUPAC Name1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1csc(I)c1
InChIInChI=1S/C11H8INOS/c12-11-5-9(7-15-11)10(14)4-8-2-1-3-13-6-8/h1-3,5-7H,4H2
InChIKeyYUBWKFROUZTMMP-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 78950056
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(5-iodothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79693070
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880
1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
CID 102830690
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone (CID 115799235) is 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone?
The InChIKey is YUBWKFROUZTMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INOS/c12-11-5-9(7-15-11)10(14)4-8-2-1-3-13-6-8/h1-3,5-7H,4H2.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone?
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone has a molecular weight of 329.16 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).