[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite

C6H4Cl2N2O — CID 87705241

IUPAC[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite
SMILESClON=Cc1ccncc1Cl
InChIInChI=1S/C6H4Cl2N2O/c7-6-4-9-2-1-5(6)3-10-11-8/h1-4H
InChIKeyOSIXHNOVMNAGJT-UHFFFAOYSA-N
MW191.02 g/mol
LogP2.24
Rot. Bonds2

About [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite

[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite (PubChem CID 87705241) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite.

Molecular Properties

Compound Name[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite
PubChem CID87705241
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite
SMILESClON=Cc1ccncc1Cl
InChIInChI=1S/C6H4Cl2N2O/c7-6-4-9-2-1-5(6)3-10-11-8/h1-4H
InChIKeyOSIXHNOVMNAGJT-UHFFFAOYSA-N
XLogP2.24
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite?
The IUPAC name of [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite (CID 87705241) is [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite.
What is the SMILES notation for [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite?
The canonical SMILES for [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite is ClON=Cc1ccncc1Cl.
What is the InChIKey of [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite?
The InChIKey is OSIXHNOVMNAGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O/c7-6-4-9-2-1-5(6)3-10-11-8/h1-4H.
What are the key properties of [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite?
[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite has a molecular weight of 191.02 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-pyridinyl)methylideneamino] hypochlorite is sourced from PubChem (CID 87705241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).