ethyl 5-phenylpyridine-2-carboxylate

C14H13NO2 — CID 14540002

IUPACethyl 5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)13-9-8-12(10-15-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyYLTRNHCOZCQBTP-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.93
Rot. Bonds3

About ethyl 5-phenylpyridine-2-carboxylate

ethyl 5-phenylpyridine-2-carboxylate (PubChem CID 14540002) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylpyridine-2-carboxylate
PubChem CID14540002
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Nameethyl 5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)cn1
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)13-9-8-12(10-15-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyYLTRNHCOZCQBTP-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 5-phenylpyridine-2-carboxylate (CID 14540002) is ethyl 5-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 5-phenylpyridine-2-carboxylate is CCOC(=O)c1ccc(-c2ccccc2)cn1.
What is the InChIKey of ethyl 5-phenylpyridine-2-carboxylate?
The InChIKey is YLTRNHCOZCQBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-17-14(16)13-9-8-12(10-15-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 5-phenylpyridine-2-carboxylate?
ethyl 5-phenylpyridine-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 14540002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).