(NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine

C5H3Cl2N3O — CID 136832290

IUPAC(NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine
SMILESO/N=C\c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H3Cl2N3O/c6-3-1-4(7)10-5(9-3)2-8-11/h1-2,11H/b8-2-
InChIKeyFBSFRTACYCNXNV-WAPJZHGLSA-N
MW192.00 g/mol
LogP1.59
Rot. Bonds1

About (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine

(NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine (PubChem CID 136832290) has the molecular formula C5H3Cl2N3O and a molecular weight of 192.00 g/mol. Its IUPAC name is (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine
PubChem CID136832290
Molecular FormulaC5H3Cl2N3O
Molecular Weight192.00 g/mol
Exact Mass190.97
IUPAC Name(NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine
SMILESO/N=C\c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C5H3Cl2N3O/c6-3-1-4(7)10-5(9-3)2-8-11/h1-2,11H/b8-2-
InChIKeyFBSFRTACYCNXNV-WAPJZHGLSA-N
XLogP1.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine (CID 136832290) is (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine is O/N=C\c1nc(Cl)cc(Cl)n1.
What is the InChIKey of (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine?
The InChIKey is FBSFRTACYCNXNV-WAPJZHGLSA-N. The full InChI is InChI=1S/C5H3Cl2N3O/c6-3-1-4(7)10-5(9-3)2-8-11/h1-2,11H/b8-2-.
What are the key properties of (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine?
(NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine has a molecular weight of 192.00 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4,6-dichloropyrimidin-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136832290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).