2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride

C12H6Cl2N2O2 — CID 86185812

IUPAC2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cccnc1-c1ncccc1C(=O)Cl
InChIInChI=1S/C12H6Cl2N2O2/c13-11(17)7-3-1-5-15-9(7)10-8(12(14)18)4-2-6-16-10/h1-6H
InChIKeyILJIVFYAZPMWJJ-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride

2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride (PubChem CID 86185812) has the molecular formula C12H6Cl2N2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
PubChem CID86185812
Molecular FormulaC12H6Cl2N2O2
Molecular Weight281.10 g/mol
Exact Mass279.98
IUPAC Name2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cccnc1-c1ncccc1C(=O)Cl
InChIInChI=1S/C12H6Cl2N2O2/c13-11(17)7-3-1-5-15-9(7)10-8(12(14)18)4-2-6-16-10/h1-6H
InChIKeyILJIVFYAZPMWJJ-UHFFFAOYSA-N
XLogP2.90
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
CID 87501484
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 91031305
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899
3-chloropyridine-2-carbonyl chloride
CID 45081497
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
bis[2-(4-methylphenyl)-3-pyridinyl]methanone
CID 67746009
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride?
The IUPAC name of 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride (CID 86185812) is 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride is O=C(Cl)c1cccnc1-c1ncccc1C(=O)Cl.
What is the InChIKey of 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride?
The InChIKey is ILJIVFYAZPMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2/c13-11(17)7-3-1-5-15-9(7)10-8(12(14)18)4-2-6-16-10/h1-6H.
What are the key properties of 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride?
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride has a molecular weight of 281.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 86185812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).