methyl 6-ethenylpyridine-3-carboxylate

C9H9NO2 — CID 66815596

IUPACmethyl 6-ethenylpyridine-3-carboxylate
SMILESC=Cc1ccc(C(=O)OC)cn1
InChIInChI=1S/C9H9NO2/c1-3-8-5-4-7(6-10-8)9(11)12-2/h3-6H,1H2,2H3
InChIKeyVQJJMPPJQLKXFJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.51
Rot. Bonds2

About methyl 6-ethenylpyridine-3-carboxylate

methyl 6-ethenylpyridine-3-carboxylate (PubChem CID 66815596) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is methyl 6-ethenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethenylpyridine-3-carboxylate
PubChem CID66815596
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Namemethyl 6-ethenylpyridine-3-carboxylate
SMILESC=Cc1ccc(C(=O)OC)cn1
InChIInChI=1S/C9H9NO2/c1-3-8-5-4-7(6-10-8)9(11)12-2/h3-6H,1H2,2H3
InChIKeyVQJJMPPJQLKXFJ-UHFFFAOYSA-N
XLogP1.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-ethenylpyridine-3-carboxylate?
The IUPAC name of methyl 6-ethenylpyridine-3-carboxylate (CID 66815596) is methyl 6-ethenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-ethenylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-ethenylpyridine-3-carboxylate is C=Cc1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-ethenylpyridine-3-carboxylate?
The InChIKey is VQJJMPPJQLKXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-8-5-4-7(6-10-8)9(11)12-2/h3-6H,1H2,2H3.
What are the key properties of methyl 6-ethenylpyridine-3-carboxylate?
methyl 6-ethenylpyridine-3-carboxylate has a molecular weight of 163.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethenylpyridine-3-carboxylate is sourced from PubChem (CID 66815596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).