ethyl 2-(2-methyl-3-pyridinyl)ethanimidate

C10H14N2O — CID 19099344

IUPACethyl 2-(2-methyl-3-pyridinyl)ethanimidate
SMILES[H]/N=C(/Cc1cccnc1C)OCC
InChIInChI=1S/C10H14N2O/c1-3-13-10(11)7-9-5-4-6-12-8(9)2/h4-6,11H,3,7H2,1-2H3/b11-10-
InChIKeyYRENFZUEICDCOV-KHPPLWFESA-N
MW178.23 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-(2-methyl-3-pyridinyl)ethanimidate

ethyl 2-(2-methyl-3-pyridinyl)ethanimidate (PubChem CID 19099344) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethyl 2-(2-methyl-3-pyridinyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-3-pyridinyl)ethanimidate
PubChem CID19099344
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethyl 2-(2-methyl-3-pyridinyl)ethanimidate
SMILES[H]/N=C(/Cc1cccnc1C)OCC
InChIInChI=1S/C10H14N2O/c1-3-13-10(11)7-9-5-4-6-12-8(9)2/h4-6,11H,3,7H2,1-2H3/b11-10-
InChIKeyYRENFZUEICDCOV-KHPPLWFESA-N
XLogP1.95
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.95
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 2-(2-methyl-3-pyridinyl)ethanimidate?
The IUPAC name of ethyl 2-(2-methyl-3-pyridinyl)ethanimidate (CID 19099344) is ethyl 2-(2-methyl-3-pyridinyl)ethanimidate.
What is the SMILES notation for ethyl 2-(2-methyl-3-pyridinyl)ethanimidate?
The canonical SMILES for ethyl 2-(2-methyl-3-pyridinyl)ethanimidate is [H]/N=C(/Cc1cccnc1C)OCC.
What is the InChIKey of ethyl 2-(2-methyl-3-pyridinyl)ethanimidate?
The InChIKey is YRENFZUEICDCOV-KHPPLWFESA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-13-10(11)7-9-5-4-6-12-8(9)2/h4-6,11H,3,7H2,1-2H3/b11-10-.
What are the key properties of ethyl 2-(2-methyl-3-pyridinyl)ethanimidate?
ethyl 2-(2-methyl-3-pyridinyl)ethanimidate has a molecular weight of 178.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-3-pyridinyl)ethanimidate is sourced from PubChem (CID 19099344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).