N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine

C7H8N2O2 — CID 57363090

IUPACN-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cncc(C=NO)c1
InChIInChI=1S/C7H8N2O2/c1-11-7-2-6(4-9-10)3-8-5-7/h2-5,10H,1H3
InChIKeyIYJMHCDUUDDZBX-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.90
Rot. Bonds2

About N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine

N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 57363090) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
PubChem CID57363090
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cncc(C=NO)c1
InChIInChI=1S/C7H8N2O2/c1-11-7-2-6(4-9-10)3-8-5-7/h2-5,10H,1H3
InChIKeyIYJMHCDUUDDZBX-UHFFFAOYSA-N
XLogP0.90
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.90
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 N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine (CID 57363090) is N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine is COc1cncc(C=NO)c1.
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is IYJMHCDUUDDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7-2-6(4-9-10)3-8-5-7/h2-5,10H,1H3.
What are the key properties of N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine?
N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 152.15 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 57363090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).