methyl (1E)-N-pyridin-2-ylethanimidate

C8H10N2O — CID 14952135

IUPACmethyl (1E)-N-pyridin-2-ylethanimidate
SMILESCO/C(C)=N/c1ccccn1
InChIInChI=1S/C8H10N2O/c1-7(11-2)10-8-5-3-4-6-9-8/h3-6H,1-2H3/b10-7+
InChIKeyYBJQRLPMLCJREW-JXMROGBWSA-N
MW150.18 g/mol
LogP1.78
Rot. Bonds1

About methyl (1E)-N-pyridin-2-ylethanimidate

methyl (1E)-N-pyridin-2-ylethanimidate (PubChem CID 14952135) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is methyl (1E)-N-pyridin-2-ylethanimidate.

Molecular Properties

Compound Namemethyl (1E)-N-pyridin-2-ylethanimidate
PubChem CID14952135
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Namemethyl (1E)-N-pyridin-2-ylethanimidate
SMILESCO/C(C)=N/c1ccccn1
InChIInChI=1S/C8H10N2O/c1-7(11-2)10-8-5-3-4-6-9-8/h3-6H,1-2H3/b10-7+
InChIKeyYBJQRLPMLCJREW-JXMROGBWSA-N
XLogP1.78
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
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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Related Compounds

CID 173409418
CID 173409418
2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
CID 160972528
1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
CID 133053647
dipyridin-2-yldiazene;osmium
CID 173074203
[(E)-C-(2-oxopropoxy)-N-pyridin-2-ylcarbonimidoyl] 2-oxopropyl carbonate
CID 22216165
N-pyridin-2-ylbenzenecarboximidoyl chloride;hydrochloride
CID 131712575
1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
CID 24939669
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
methyl N-cyanopyridine-2-carboximidate
CID 10012189
methyl 4-[(Z)-[(C,N-dipyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoate
CID 26366500
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
ethane;2-isocyanatopyridine
CID 91297409

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-N-pyridin-2-ylethanimidate?
The IUPAC name of methyl (1E)-N-pyridin-2-ylethanimidate (CID 14952135) is methyl (1E)-N-pyridin-2-ylethanimidate.
What is the SMILES notation for methyl (1E)-N-pyridin-2-ylethanimidate?
The canonical SMILES for methyl (1E)-N-pyridin-2-ylethanimidate is CO/C(C)=N/c1ccccn1.
What is the InChIKey of methyl (1E)-N-pyridin-2-ylethanimidate?
The InChIKey is YBJQRLPMLCJREW-JXMROGBWSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11-2)10-8-5-3-4-6-9-8/h3-6H,1-2H3/b10-7+.
What are the key properties of methyl (1E)-N-pyridin-2-ylethanimidate?
methyl (1E)-N-pyridin-2-ylethanimidate has a molecular weight of 150.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-N-pyridin-2-ylethanimidate is sourced from PubChem (CID 14952135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).