(NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine

C13H12FN3O — CID 137108267

IUPAC(NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H12FN3O/c14-11-3-1-10(2-4-11)7-15-12-5-6-13(9-17-18)16-8-12/h1-6,8-9,15,18H,7H2/b17-9-
InChIKeyOYBPFGDTEAHMCW-MFOYZWKCSA-N
MW245.26 g/mol
LogP2.64
Rot. Bonds4

About (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 137108267) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID137108267
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name(NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C\c1ccc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H12FN3O/c14-11-3-1-10(2-4-11)7-15-12-5-6-13(9-17-18)16-8-12/h1-6,8-9,15,18H,7H2/b17-9-
InChIKeyOYBPFGDTEAHMCW-MFOYZWKCSA-N
XLogP2.64
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
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-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine (CID 137108267) is (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine is O/N=C\c1ccc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is OYBPFGDTEAHMCW-MFOYZWKCSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-3-1-10(2-4-11)7-15-12-5-6-13(9-17-18)16-8-12/h1-6,8-9,15,18H,7H2/b17-9-.
What are the key properties of (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 245.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 137108267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).