N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine

C6H3Cl3N2O — CID 131881541

IUPACN-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C6H3Cl3N2O/c7-4-1-3(2-10-12)5(8)11-6(4)9/h1-2,12H
InChIKeyTXYJWSRRFXADBE-UHFFFAOYSA-N
MW225.46 g/mol
LogP2.85
Rot. Bonds1

About N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine

N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 131881541) has the molecular formula C6H3Cl3N2O and a molecular weight of 225.46 g/mol. Its IUPAC name is N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine
PubChem CID131881541
Molecular FormulaC6H3Cl3N2O
Molecular Weight225.46 g/mol
Exact Mass223.93
IUPAC NameN-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C6H3Cl3N2O/c7-4-1-3(2-10-12)5(8)11-6(4)9/h1-2,12H
InChIKeyTXYJWSRRFXADBE-UHFFFAOYSA-N
XLogP2.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine (CID 131881541) is N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine is ON=Cc1cc(Cl)c(Cl)nc1Cl.
What is the InChIKey of N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is TXYJWSRRFXADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O/c7-4-1-3(2-10-12)5(8)11-6(4)9/h1-2,12H.
What are the key properties of N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine?
N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 225.46 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5,6-trichloro-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 131881541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).