2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide

C13H9Cl2F2N3O — CID 86686932

IUPAC2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide
SMILESO=C(/N=c1\ccccn1Cc1ccc(Cl)nc1)C(F)(F)Cl
InChIInChI=1S/C13H9Cl2F2N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+
InChIKeyXWHQQWVKDTVEEJ-YBFXNURJSA-N
MW332.14 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide

2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide (PubChem CID 86686932) has the molecular formula C13H9Cl2F2N3O and a molecular weight of 332.14 g/mol. Its IUPAC name is 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide
PubChem CID86686932
Molecular FormulaC13H9Cl2F2N3O
Molecular Weight332.14 g/mol
Exact Mass331.01
IUPAC Name2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide
SMILESO=C(/N=c1\ccccn1Cc1ccc(Cl)nc1)C(F)(F)Cl
InChIInChI=1S/C13H9Cl2F2N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+
InChIKeyXWHQQWVKDTVEEJ-YBFXNURJSA-N
XLogP2.84
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
The IUPAC name of 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide (CID 86686932) is 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide.
What is the SMILES notation for 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
The canonical SMILES for 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide is O=C(/N=c1\ccccn1Cc1ccc(Cl)nc1)C(F)(F)Cl.
What is the InChIKey of 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
The InChIKey is XWHQQWVKDTVEEJ-YBFXNURJSA-N. The full InChI is InChI=1S/C13H9Cl2F2N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+.
What are the key properties of 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide?
2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide has a molecular weight of 332.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2-difluoroacetamide is sourced from PubChem (CID 86686932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).