ethyl 4-(6-cyano-2-pyridinyl)benzoate

C15H12N2O2 — CID 14097204

IUPACethyl 4-(6-cyano-2-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cccc(C#N)n2)cc1
InChIInChI=1S/C15H12N2O2/c1-2-19-15(18)12-8-6-11(7-9-12)14-5-3-4-13(10-16)17-14/h3-9H,2H2,1H3
InChIKeyAWZFWCYKSQWHBU-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.80
Rot. Bonds3

About ethyl 4-(6-cyano-2-pyridinyl)benzoate

ethyl 4-(6-cyano-2-pyridinyl)benzoate (PubChem CID 14097204) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 4-(6-cyano-2-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(6-cyano-2-pyridinyl)benzoate
PubChem CID14097204
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Nameethyl 4-(6-cyano-2-pyridinyl)benzoate
SMILESCCOC(=O)c1ccc(-c2cccc(C#N)n2)cc1
InChIInChI=1S/C15H12N2O2/c1-2-19-15(18)12-8-6-11(7-9-12)14-5-3-4-13(10-16)17-14/h3-9H,2H2,1H3
InChIKeyAWZFWCYKSQWHBU-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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Related Compounds

ethyl 4-(3-cyanophenyl)benzoate
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ethyl 4-(azanylidyne(113C)methyl)benzoate
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ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
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ethyl 4-(4-cyanobenzoyl)benzoate
CID 11471481
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ethyl 4-(1-cyanoethoxy)benzoate
CID 60644267
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-amino-3-(6-cyano-3-pyridinyl)benzoate
CID 121271448
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-cyano-2-pyridinyl)benzoate?
The IUPAC name of ethyl 4-(6-cyano-2-pyridinyl)benzoate (CID 14097204) is ethyl 4-(6-cyano-2-pyridinyl)benzoate.
What is the SMILES notation for ethyl 4-(6-cyano-2-pyridinyl)benzoate?
The canonical SMILES for ethyl 4-(6-cyano-2-pyridinyl)benzoate is CCOC(=O)c1ccc(-c2cccc(C#N)n2)cc1.
What is the InChIKey of ethyl 4-(6-cyano-2-pyridinyl)benzoate?
The InChIKey is AWZFWCYKSQWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-2-19-15(18)12-8-6-11(7-9-12)14-5-3-4-13(10-16)17-14/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-(6-cyano-2-pyridinyl)benzoate?
ethyl 4-(6-cyano-2-pyridinyl)benzoate 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 4-(6-cyano-2-pyridinyl)benzoate is sourced from PubChem (CID 14097204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).