ethyl 3-cyano-4-phenylpyridine-2-carboxylate

C15H12N2O2 — CID 71300225

IUPACethyl 3-cyano-4-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1nccc(-c2ccccc2)c1C#N
InChIInChI=1S/C15H12N2O2/c1-2-19-15(18)14-13(10-16)12(8-9-17-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyBIFWETVABGZJTE-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.80
Rot. Bonds3

About ethyl 3-cyano-4-phenylpyridine-2-carboxylate

ethyl 3-cyano-4-phenylpyridine-2-carboxylate (PubChem CID 71300225) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 3-cyano-4-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-4-phenylpyridine-2-carboxylate
PubChem CID71300225
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Nameethyl 3-cyano-4-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1nccc(-c2ccccc2)c1C#N
InChIInChI=1S/C15H12N2O2/c1-2-19-15(18)14-13(10-16)12(8-9-17-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKeyBIFWETVABGZJTE-UHFFFAOYSA-N
XLogP2.80
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-4-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-cyano-4-phenylpyridine-2-carboxylate (CID 71300225) is ethyl 3-cyano-4-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-cyano-4-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-cyano-4-phenylpyridine-2-carboxylate is CCOC(=O)c1nccc(-c2ccccc2)c1C#N.
What is the InChIKey of ethyl 3-cyano-4-phenylpyridine-2-carboxylate?
The InChIKey is BIFWETVABGZJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-19-15(18)14-13(10-16)12(8-9-17-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-cyano-4-phenylpyridine-2-carboxylate?
ethyl 3-cyano-4-phenylpyridine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-4-phenylpyridine-2-carboxylate is sourced from PubChem (CID 71300225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).