5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one

C10H8ClNOS — CID 176681913

IUPAC5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one
SMILESO=c1cc(-c2ccsc2)[nH]cc1CCl
InChIInChI=1S/C10H8ClNOS/c11-4-8-5-12-9(3-10(8)13)7-1-2-14-6-7/h1-3,5-6H,4H2,(H,12,13)
InChIKeyFFTHYGGPBMEJBC-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.84
Rot. Bonds2

About 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one

5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one (PubChem CID 176681913) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one
PubChem CID176681913
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one
SMILESO=c1cc(-c2ccsc2)[nH]cc1CCl
InChIInChI=1S/C10H8ClNOS/c11-4-8-5-12-9(3-10(8)13)7-1-2-14-6-7/h1-3,5-6H,4H2,(H,12,13)
InChIKeyFFTHYGGPBMEJBC-UHFFFAOYSA-N
XLogP2.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one?
The IUPAC name of 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one (CID 176681913) is 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one.
What is the SMILES notation for 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one?
The canonical SMILES for 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one is O=c1cc(-c2ccsc2)[nH]cc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one?
The InChIKey is FFTHYGGPBMEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-4-8-5-12-9(3-10(8)13)7-1-2-14-6-7/h1-3,5-6H,4H2,(H,12,13).
What are the key properties of 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one?
5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one has a molecular weight of 225.70 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-thiophen-3-yl-1H-pyridin-4-one is sourced from PubChem (CID 176681913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).