(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine

C15H14F3N3O — CID 97136470

IUPAC(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=N\O)c2)n1
InChIInChI=1S/C15H14F3N3O/c1-21(2)14-8-12(15(16,17)18)7-13(20-14)11-5-3-4-10(6-11)9-19-22/h3-9,22H,1-2H3/b19-9-
InChIKeyDHPXUFPKSJUKNG-OCKHKDLRSA-N
MW309.29 g/mol
LogP3.64
Rot. Bonds3

About (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine

(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine (PubChem CID 97136470) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine
PubChem CID97136470
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=N\O)c2)n1
InChIInChI=1S/C15H14F3N3O/c1-21(2)14-8-12(15(16,17)18)7-13(20-14)11-5-3-4-10(6-11)9-19-22/h3-9,22H,1-2H3/b19-9-
InChIKeyDHPXUFPKSJUKNG-OCKHKDLRSA-N
XLogP3.64
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.64
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-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine (CID 97136470) is (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine is CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=N\O)c2)n1.
What is the InChIKey of (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine?
The InChIKey is DHPXUFPKSJUKNG-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-21(2)14-8-12(15(16,17)18)7-13(20-14)11-5-3-4-10(6-11)9-19-22/h3-9,22H,1-2H3/b19-9-.
What are the key properties of (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine has a molecular weight of 309.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 97136470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).