ethyl 6-ethenylpyridine-2-carboxylate

C10H11NO2 — CID 67974545

IUPACethyl 6-ethenylpyridine-2-carboxylate
SMILESC=Cc1cccc(C(=O)OCC)n1
InChIInChI=1S/C10H11NO2/c1-3-8-6-5-7-9(11-8)10(12)13-4-2/h3,5-7H,1,4H2,2H3
InChIKeyBNRPBIQKLIZKRU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.90
Rot. Bonds3

About ethyl 6-ethenylpyridine-2-carboxylate

ethyl 6-ethenylpyridine-2-carboxylate (PubChem CID 67974545) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is ethyl 6-ethenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethenylpyridine-2-carboxylate
PubChem CID67974545
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Nameethyl 6-ethenylpyridine-2-carboxylate
SMILESC=Cc1cccc(C(=O)OCC)n1
InChIInChI=1S/C10H11NO2/c1-3-8-6-5-7-9(11-8)10(12)13-4-2/h3,5-7H,1,4H2,2H3
InChIKeyBNRPBIQKLIZKRU-UHFFFAOYSA-N
XLogP1.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethenylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-ethenylpyridine-2-carboxylate (CID 67974545) is ethyl 6-ethenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-ethenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-ethenylpyridine-2-carboxylate is C=Cc1cccc(C(=O)OCC)n1.
What is the InChIKey of ethyl 6-ethenylpyridine-2-carboxylate?
The InChIKey is BNRPBIQKLIZKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-8-6-5-7-9(11-8)10(12)13-4-2/h3,5-7H,1,4H2,2H3.
What are the key properties of ethyl 6-ethenylpyridine-2-carboxylate?
ethyl 6-ethenylpyridine-2-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethenylpyridine-2-carboxylate is sourced from PubChem (CID 67974545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).