6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride

C12H6Cl2N4O2 — CID 131885558

IUPAC6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cccc(N=Nc2cccc(C(=O)Cl)n2)n1
InChIInChI=1S/C12H6Cl2N4O2/c13-11(19)7-3-1-5-9(15-7)17-18-10-6-2-4-8(16-10)12(14)20/h1-6H
InChIKeyXMGWLGXLDFJWPU-UHFFFAOYSA-N
MW309.11 g/mol
LogP3.65
Rot. Bonds4

About 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride

6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride (PubChem CID 131885558) has the molecular formula C12H6Cl2N4O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride
PubChem CID131885558
Molecular FormulaC12H6Cl2N4O2
Molecular Weight309.11 g/mol
Exact Mass307.99
IUPAC Name6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cccc(N=Nc2cccc(C(=O)Cl)n2)n1
InChIInChI=1S/C12H6Cl2N4O2/c13-11(19)7-3-1-5-9(15-7)17-18-10-6-2-4-8(16-10)12(14)20/h1-6H
InChIKeyXMGWLGXLDFJWPU-UHFFFAOYSA-N
XLogP3.65
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 134844060
6-methoxypyridine-2-carbonyl chloride
CID 86688296
6-propan-2-ylpyridine-2-carbonyl chloride
CID 130153225
CID 91986542
CID 91986542
6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride
CID 59290909
3-[(3-carbonochloridoyl-2-methylphenyl)diazenyl]-2-methylbenzoyl chloride
CID 134935810
bis(6-chloro-2-pyridinyl)methanone
CID 102384352
ethane;pyridine-2-carbonyl chloride
CID 158598971
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
calcium pyridine-2,6-dicarboxylate
CID 11708274
1,8-naphthyridine-2-carbonyl chloride
CID 129321879

Frequently Asked Questions

What is the IUPAC name of 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride?
The IUPAC name of 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride (CID 131885558) is 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride.
What is the SMILES notation for 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride?
The canonical SMILES for 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride is O=C(Cl)c1cccc(N=Nc2cccc(C(=O)Cl)n2)n1.
What is the InChIKey of 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride?
The InChIKey is XMGWLGXLDFJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N4O2/c13-11(19)7-3-1-5-9(15-7)17-18-10-6-2-4-8(16-10)12(14)20/h1-6H.
What are the key properties of 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride?
6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride has a molecular weight of 309.11 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-carbonochloridoyl-2-pyridinyl)diazenyl]pyridine-2-carbonyl chloride is sourced from PubChem (CID 131885558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).