3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one

C12H10Cl2N2O — CID 65317704

IUPAC3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-4-10(14)8(6-9)7-16-5-1-2-11(15)12(16)17/h1-6H,7,15H2
InChIKeyZMJSXMWLROPBIR-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.79
Rot. Bonds2

About 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one

3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one (PubChem CID 65317704) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
PubChem CID65317704
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one
SMILESNc1cccn(Cc2cc(Cl)ccc2Cl)c1=O
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-4-10(14)8(6-9)7-16-5-1-2-11(15)12(16)17/h1-6H,7,15H2
InChIKeyZMJSXMWLROPBIR-UHFFFAOYSA-N
XLogP2.79
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one (CID 65317704) is 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one is Nc1cccn(Cc2cc(Cl)ccc2Cl)c1=O.
What is the InChIKey of 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one?
The InChIKey is ZMJSXMWLROPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-3-4-10(14)8(6-9)7-16-5-1-2-11(15)12(16)17/h1-6H,7,15H2.
What are the key properties of 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one?
3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one has a molecular weight of 269.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,5-dichlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 65317704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).