3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one

C10H9ClN2OS — CID 165473774

IUPAC3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one
SMILESNc1cn(Cc2csc(Cl)c2)ccc1=O
InChIInChI=1S/C10H9ClN2OS/c11-10-3-7(6-15-10)4-13-2-1-9(14)8(12)5-13/h1-3,5-6H,4,12H2
InChIKeyQZHCTDZMXHSORO-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.19
Rot. Bonds2

About 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one

3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one (PubChem CID 165473774) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one
PubChem CID165473774
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one
SMILESNc1cn(Cc2csc(Cl)c2)ccc1=O
InChIInChI=1S/C10H9ClN2OS/c11-10-3-7(6-15-10)4-13-2-1-9(14)8(12)5-13/h1-3,5-6H,4,12H2
InChIKeyQZHCTDZMXHSORO-UHFFFAOYSA-N
XLogP2.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one (CID 165473774) is 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one is Nc1cn(Cc2csc(Cl)c2)ccc1=O.
What is the InChIKey of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one?
The InChIKey is QZHCTDZMXHSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-10-3-7(6-15-10)4-13-2-1-9(14)8(12)5-13/h1-3,5-6H,4,12H2.
What are the key properties of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one?
3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 165473774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).