methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate

C11H13NO3 — CID 166150412

IUPACmethyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
SMILESC=C(OCC)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C11H13NO3/c1-4-15-8(2)10-6-5-9(7-12-10)11(13)14-3/h5-7H,2,4H2,1,3H3
InChIKeyRQULMHIPYKJPGT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.88
Rot. Bonds4

About methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate

methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate (PubChem CID 166150412) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
PubChem CID166150412
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate
SMILESC=C(OCC)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C11H13NO3/c1-4-15-8(2)10-6-5-9(7-12-10)11(13)14-3/h5-7H,2,4H2,1,3H3
InChIKeyRQULMHIPYKJPGT-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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

2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
methyl 4-(1-ethoxyethenyl)-3-ethylbenzoate
CID 134387928
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
5-O-[(2S)-1-ethoxy-1-oxopropan-2-yl] 2-O-[(2R)-1-ethoxy-1-oxopropan-2-yl] pyridine-2,5-dicarboxylate
CID 6999262
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
CID 169004083
ethyl (3R)-4-(5-methoxycarbonylpyridine-2-carbonyl)thiomorpholine-3-carboxylate
CID 51934224
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
methyl 6-[(2-ethoxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylate
CID 87006237
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate (CID 166150412) is methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate is C=C(OCC)c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate?
The InChIKey is RQULMHIPYKJPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-4-15-8(2)10-6-5-9(7-12-10)11(13)14-3/h5-7H,2,4H2,1,3H3.
What are the key properties of methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate?
methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-ethoxyethenyl)pyridine-3-carboxylate is sourced from PubChem (CID 166150412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).