(4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine

C7H11N3O2 — CID 173221963

IUPAC(4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine
SMILESCOC1=CC(=NN)[N+](C)([O-])C=C1
InChIInChI=1S/C7H11N3O2/c1-10(11)4-3-6(12-2)5-7(10)9-8/h3-5H,8H2,1-2H3
InChIKeyXTIVKOWGWBHIFG-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.26
Rot. Bonds1

About (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine

(4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine (PubChem CID 173221963) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine.

Molecular Properties

Compound Name(4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine
PubChem CID173221963
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine
SMILESCOC1=CC(=NN)[N+](C)([O-])C=C1
InChIInChI=1S/C7H11N3O2/c1-10(11)4-3-6(12-2)5-7(10)9-8/h3-5H,8H2,1-2H3
InChIKeyXTIVKOWGWBHIFG-UHFFFAOYSA-N
XLogP0.26
TPSA70.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine?
The IUPAC name of (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine (CID 173221963) is (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine.
What is the SMILES notation for (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine?
The canonical SMILES for (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine is COC1=CC(=NN)[N+](C)([O-])C=C1.
What is the InChIKey of (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine?
The InChIKey is XTIVKOWGWBHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(11)4-3-6(12-2)5-7(10)9-8/h3-5H,8H2,1-2H3.
What are the key properties of (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine?
(4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine has a molecular weight of 169.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methyl-1-oxidopyridin-1-ium-2-ylidene)hydrazine is sourced from PubChem (CID 173221963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).