1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one

C12H9Cl2NOS — CID 79786683

IUPAC1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NOS/c13-8-6-10(14)12(15-7-8)11(16)4-3-9-2-1-5-17-9/h1-2,5-7H,3-4H2
InChIKeyCKTOJNRUSSMGKT-UHFFFAOYSA-N
MW286.18 g/mol
LogP4.27
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one

1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 79786683) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
PubChem CID79786683
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2NOS/c13-8-6-10(14)12(15-7-8)11(16)4-3-9-2-1-5-17-9/h1-2,5-7H,3-4H2
InChIKeyCKTOJNRUSSMGKT-UHFFFAOYSA-N
XLogP4.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-thiophen-2-yl-N'-(2,4,6-trichlorophenyl)propanehydrazide
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1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
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1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
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2,5-dichloro-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
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1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
CID 114973168
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
CID 105101493

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one (CID 79786683) is 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is CKTOJNRUSSMGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c13-8-6-10(14)12(15-7-8)11(16)4-3-9-2-1-5-17-9/h1-2,5-7H,3-4H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one?
1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 286.18 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 79786683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).