1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride

C13H8Cl3NO2 — CID 118093452

IUPAC1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cccc(=O)n1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-9-4-5-10(15)8(6-9)7-17-11(13(16)19)2-1-3-12(17)18/h1-6H,7H2
InChIKeyKBORVXGQFRBGLM-UHFFFAOYSA-N
MW316.57 g/mol
LogP3.58
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride

1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride (PubChem CID 118093452) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride
PubChem CID118093452
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cccc(=O)n1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H8Cl3NO2/c14-9-4-5-10(15)8(6-9)7-17-11(13(16)19)2-1-3-12(17)18/h1-6H,7H2
InChIKeyKBORVXGQFRBGLM-UHFFFAOYSA-N
XLogP3.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride (CID 118093452) is 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride is O=C(Cl)c1cccc(=O)n1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride?
The InChIKey is KBORVXGQFRBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-9-4-5-10(15)8(6-9)7-17-11(13(16)19)2-1-3-12(17)18/h1-6H,7H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride?
1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride has a molecular weight of 316.57 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride is sourced from PubChem (CID 118093452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).