N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine

C13H13N2O3- — CID 144627206

IUPACN-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine
SMILESCOc1cc(-c2cccc(N([O-])O)c2C)ccn1
InChIInChI=1S/C13H13N2O3/c1-9-11(4-3-5-12(9)15(16)17)10-6-7-14-13(8-10)18-2/h3-8,16H,1-2H3/q-1
InChIKeyRHPHOZQPZOJRCA-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.76
Rot. Bonds3

About N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine

N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine (PubChem CID 144627206) has the molecular formula C13H13N2O3- and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine
PubChem CID144627206
Molecular FormulaC13H13N2O3-
Molecular Weight245.26 g/mol
Exact Mass245.09
IUPAC NameN-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine
SMILESCOc1cc(-c2cccc(N([O-])O)c2C)ccn1
InChIInChI=1S/C13H13N2O3/c1-9-11(4-3-5-12(9)15(16)17)10-6-7-14-13(8-10)18-2/h3-8,16H,1-2H3/q-1
InChIKeyRHPHOZQPZOJRCA-UHFFFAOYSA-N
XLogP2.76
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine (CID 144627206) is N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine is COc1cc(-c2cccc(N([O-])O)c2C)ccn1.
What is the InChIKey of N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine?
The InChIKey is RHPHOZQPZOJRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O3/c1-9-11(4-3-5-12(9)15(16)17)10-6-7-14-13(8-10)18-2/h3-8,16H,1-2H3/q-1.
What are the key properties of N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine?
N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine has a molecular weight of 245.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxy-4-pyridinyl)-2-methylphenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 144627206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).