3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one

C10H9ClN2OS — CID 165483394

IUPAC3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2csc(Cl)c2)c1=O
InChIInChI=1S/C10H9ClN2OS/c11-9-4-7(6-15-9)5-13-3-1-2-8(12)10(13)14/h1-4,6H,5,12H2
InChIKeyJBBRLRXJGUSNHV-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.19
Rot. Bonds2

About 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one

3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one (PubChem CID 165483394) 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-2-one.

Molecular Properties

Compound Name3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one
PubChem CID165483394
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2csc(Cl)c2)c1=O
InChIInChI=1S/C10H9ClN2OS/c11-9-4-7(6-15-9)5-13-3-1-2-8(12)10(13)14/h1-4,6H,5,12H2
InChIKeyJBBRLRXJGUSNHV-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-2-one?
The IUPAC name of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one (CID 165483394) is 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one is Nc1cccn(Cc2csc(Cl)c2)c1=O.
What is the InChIKey of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one?
The InChIKey is JBBRLRXJGUSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-9-4-7(6-15-9)5-13-3-1-2-8(12)10(13)14/h1-4,6H,5,12H2.
What are the key properties of 3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-one?
3-amino-1-[(5-chlorothiophen-3-yl)methyl]pyridin-2-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-2-one is sourced from PubChem (CID 165483394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).