ethyl pyridine-3-carboximidate

C8H10N2O — CID 10464495

IUPACethyl pyridine-3-carboximidate
SMILES[H]/N=C(\OCC)c1cccnc1
InChIInChI=1S/C8H10N2O/c1-2-11-8(9)7-4-3-5-10-6-7/h3-6,9H,2H2,1H3/b9-8-
InChIKeyKWFXEMSLQMSROR-HJWRWDBZSA-N
MW150.18 g/mol
LogP1.44
Rot. Bonds2

About ethyl pyridine-3-carboximidate

ethyl pyridine-3-carboximidate (PubChem CID 10464495) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is ethyl pyridine-3-carboximidate.

Molecular Properties

Compound Nameethyl pyridine-3-carboximidate
PubChem CID10464495
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Nameethyl pyridine-3-carboximidate
SMILES[H]/N=C(\OCC)c1cccnc1
InChIInChI=1S/C8H10N2O/c1-2-11-8(9)7-4-3-5-10-6-7/h3-6,9H,2H2,1H3/b9-8-
InChIKeyKWFXEMSLQMSROR-HJWRWDBZSA-N
XLogP1.44
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl pyridine-3-carboximidate?
The IUPAC name of ethyl pyridine-3-carboximidate (CID 10464495) is ethyl pyridine-3-carboximidate.
What is the SMILES notation for ethyl pyridine-3-carboximidate?
The canonical SMILES for ethyl pyridine-3-carboximidate is [H]/N=C(\OCC)c1cccnc1.
What is the InChIKey of ethyl pyridine-3-carboximidate?
The InChIKey is KWFXEMSLQMSROR-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-11-8(9)7-4-3-5-10-6-7/h3-6,9H,2H2,1H3/b9-8-.
What are the key properties of ethyl pyridine-3-carboximidate?
ethyl pyridine-3-carboximidate has a molecular weight of 150.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyridine-3-carboximidate is sourced from PubChem (CID 10464495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).