ethyl (NZ)-N-pyridin-2-yliminocarbamate

C8H9N3O2 — CID 10773684

IUPACethyl (NZ)-N-pyridin-2-yliminocarbamate
SMILESCCOC(=O)/N=N\c1ccccn1
InChIInChI=1S/C8H9N3O2/c1-2-13-8(12)11-10-7-5-3-4-6-9-7/h3-6H,2H2,1H3/b11-10-
InChIKeyIESKTPMQWNMZPR-KHPPLWFESA-N
MW179.18 g/mol
LogP2.32
Rot. Bonds2

About ethyl (NZ)-N-pyridin-2-yliminocarbamate

ethyl (NZ)-N-pyridin-2-yliminocarbamate (PubChem CID 10773684) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is ethyl (NZ)-N-pyridin-2-yliminocarbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-pyridin-2-yliminocarbamate
PubChem CID10773684
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Nameethyl (NZ)-N-pyridin-2-yliminocarbamate
SMILESCCOC(=O)/N=N\c1ccccn1
InChIInChI=1S/C8H9N3O2/c1-2-13-8(12)11-10-7-5-3-4-6-9-7/h3-6H,2H2,1H3/b11-10-
InChIKeyIESKTPMQWNMZPR-KHPPLWFESA-N
XLogP2.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-pyridin-2-yliminothiourea
CID 177497182
ethyl pyridine-2-carboxylate
CID 17307
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
dipyridin-2-yldiazene;osmium
CID 173074203
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl 3-oxo-5-pyridin-2-ylpyrazole-4-carboxylate
CID 70471541
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
[(E)-C-(2-oxopropoxy)-N-pyridin-2-ylcarbonimidoyl] 2-oxopropyl carbonate
CID 22216165
ethyl 2-[(4Z)-3-hydroxy-5-(hydroxymethyl)-2-methyl-4-[(pyridin-2-yldiazenyl)methylidene]-1-pyridinyl]acetate
CID 172873481
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
CID 173295578
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-pyridin-2-yliminocarbamate?
The IUPAC name of ethyl (NZ)-N-pyridin-2-yliminocarbamate (CID 10773684) is ethyl (NZ)-N-pyridin-2-yliminocarbamate.
What is the SMILES notation for ethyl (NZ)-N-pyridin-2-yliminocarbamate?
The canonical SMILES for ethyl (NZ)-N-pyridin-2-yliminocarbamate is CCOC(=O)/N=N\c1ccccn1.
What is the InChIKey of ethyl (NZ)-N-pyridin-2-yliminocarbamate?
The InChIKey is IESKTPMQWNMZPR-KHPPLWFESA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-13-8(12)11-10-7-5-3-4-6-9-7/h3-6H,2H2,1H3/b11-10-.
What are the key properties of ethyl (NZ)-N-pyridin-2-yliminocarbamate?
ethyl (NZ)-N-pyridin-2-yliminocarbamate has a molecular weight of 179.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NZ)-N-pyridin-2-yliminocarbamate is sourced from PubChem (CID 10773684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).