N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine

C14H14N2O — CID 137247686

IUPACN-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine
SMILESCc1ccc(C(=NO)c2ccccn2)c(C)c1
InChIInChI=1S/C14H14N2O/c1-10-6-7-12(11(2)9-10)14(16-17)13-5-3-4-8-15-13/h3-9,17H,1-2H3
InChIKeyOZVXOIOFIWXZCO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.93
Rot. Bonds2

About N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine

N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine (PubChem CID 137247686) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine
PubChem CID137247686
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine
SMILESCc1ccc(C(=NO)c2ccccn2)c(C)c1
InChIInChI=1S/C14H14N2O/c1-10-6-7-12(11(2)9-10)14(16-17)13-5-3-4-8-15-13/h3-9,17H,1-2H3
InChIKeyOZVXOIOFIWXZCO-UHFFFAOYSA-N
XLogP2.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821
4-[(E)-C-(2,4-dimethylphenyl)-N-hydroxycarbonimidoyl]benzoic acid
CID 54433441
(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
N-(2,4-dimethylphenyl)pyridine-2-carbothioamide
CID 802201
N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide
CID 5479755
N-[(3-chlorophenyl)-pyridin-2-ylmethylidene]hydroxylamine
CID 142699149
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2,5-dimethylbenzoate
CID 17380525
N'-(2-hydroxy-4-methylbenzoyl)pyridine-2-carbohydrazide
CID 35815605
N-[pyridin-2-yl(pyridin-3-yl)methylidene]hydroxylamine
CID 137225687
(NZ)-4-methyl-N-[phenyl(pyridin-2-yl)methylidene]benzenesulfinamide
CID 177496834

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine (CID 137247686) is N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine is Cc1ccc(C(=NO)c2ccccn2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine?
The InChIKey is OZVXOIOFIWXZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-6-7-12(11(2)9-10)14(16-17)13-5-3-4-8-15-13/h3-9,17H,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine?
N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine has a molecular weight of 226.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-pyridin-2-ylmethylidene]hydroxylamine is sourced from PubChem (CID 137247686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).