N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide

C13H10ClF2N3O — CID 150285403

IUPACN-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide
SMILESO=C(/N=c1\ccccn1Cc1cccc(Cl)n1)C(F)F
InChIInChI=1S/C13H10ClF2N3O/c14-10-5-3-4-9(17-10)8-19-7-2-1-6-11(19)18-13(20)12(15)16/h1-7,12H,8H2/b18-11+
InChIKeyGGLXPVJUSCOZHW-WOJGMQOQSA-N
MW297.69 g/mol
LogP2.28
Rot. Bonds3

About N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide

N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide (PubChem CID 150285403) has the molecular formula C13H10ClF2N3O and a molecular weight of 297.69 g/mol. Its IUPAC name is N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide
PubChem CID150285403
Molecular FormulaC13H10ClF2N3O
Molecular Weight297.69 g/mol
Exact Mass297.05
IUPAC NameN-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide
SMILESO=C(/N=c1\ccccn1Cc1cccc(Cl)n1)C(F)F
InChIInChI=1S/C13H10ClF2N3O/c14-10-5-3-4-9(17-10)8-19-7-2-1-6-11(19)18-13(20)12(15)16/h1-7,12H,8H2/b18-11+
InChIKeyGGLXPVJUSCOZHW-WOJGMQOQSA-N
XLogP2.28
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
The IUPAC name of N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide (CID 150285403) is N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide is O=C(/N=c1\ccccn1Cc1cccc(Cl)n1)C(F)F.
What is the InChIKey of N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
The InChIKey is GGLXPVJUSCOZHW-WOJGMQOQSA-N. The full InChI is InChI=1S/C13H10ClF2N3O/c14-10-5-3-4-9(17-10)8-19-7-2-1-6-11(19)18-13(20)12(15)16/h1-7,12H,8H2/b18-11+.
What are the key properties of N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide has a molecular weight of 297.69 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-2-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide is sourced from PubChem (CID 150285403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).