1-ethoxyethenyl 5-methylpyridine-3-carboxylate

C11H13NO3 — CID 135150396

IUPAC1-ethoxyethenyl 5-methylpyridine-3-carboxylate
SMILESC=C(OCC)OC(=O)c1cncc(C)c1
InChIInChI=1S/C11H13NO3/c1-4-14-9(3)15-11(13)10-5-8(2)6-12-7-10/h5-7H,3-4H2,1-2H3
InChIKeyCZTIJNBHLNSVSP-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.05
Rot. Bonds4

About 1-ethoxyethenyl 5-methylpyridine-3-carboxylate

1-ethoxyethenyl 5-methylpyridine-3-carboxylate (PubChem CID 135150396) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-ethoxyethenyl 5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name1-ethoxyethenyl 5-methylpyridine-3-carboxylate
PubChem CID135150396
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-ethoxyethenyl 5-methylpyridine-3-carboxylate
SMILESC=C(OCC)OC(=O)c1cncc(C)c1
InChIInChI=1S/C11H13NO3/c1-4-14-9(3)15-11(13)10-5-8(2)6-12-7-10/h5-7H,3-4H2,1-2H3
InChIKeyCZTIJNBHLNSVSP-UHFFFAOYSA-N
XLogP2.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
3-chloropropyl 5-methylpyridine-3-carboxylate
CID 150660958
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
1,3-thiazol-5-ylmethyl 5-methylpyridine-3-carboxylate
CID 86791542
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride
CID 140963506
ethyl 4-methoxy-2-(5-methylpyridine-3-carbonyl)-3-oxobutanoate
CID 57485968
thian-4-ylmethyl 5-methylpyridine-3-carboxylate
CID 75513605
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
CID 103446963
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
CID 70071930

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethenyl 5-methylpyridine-3-carboxylate?
The IUPAC name of 1-ethoxyethenyl 5-methylpyridine-3-carboxylate (CID 135150396) is 1-ethoxyethenyl 5-methylpyridine-3-carboxylate.
What is the SMILES notation for 1-ethoxyethenyl 5-methylpyridine-3-carboxylate?
The canonical SMILES for 1-ethoxyethenyl 5-methylpyridine-3-carboxylate is C=C(OCC)OC(=O)c1cncc(C)c1.
What is the InChIKey of 1-ethoxyethenyl 5-methylpyridine-3-carboxylate?
The InChIKey is CZTIJNBHLNSVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-4-14-9(3)15-11(13)10-5-8(2)6-12-7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-ethoxyethenyl 5-methylpyridine-3-carboxylate?
1-ethoxyethenyl 5-methylpyridine-3-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethenyl 5-methylpyridine-3-carboxylate is sourced from PubChem (CID 135150396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).