ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate

C15H12N2O3 — CID 69355460

IUPACethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2ccc(C#N)c(O)c2)c1
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)13-5-12(8-17-9-13)10-3-4-11(7-16)14(18)6-10/h3-6,8-9,18H,2H2,1H3
InChIKeyOWIJPRNHIBIAPY-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.50
Rot. Bonds3

About ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate

ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate (PubChem CID 69355460) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
PubChem CID69355460
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Nameethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2ccc(C#N)c(O)c2)c1
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)13-5-12(8-17-9-13)10-3-4-11(7-16)14(18)6-10/h3-6,8-9,18H,2H2,1H3
InChIKeyOWIJPRNHIBIAPY-UHFFFAOYSA-N
XLogP2.50
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 5-cyanopyridine-3-carboxylate
CID 145385789
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
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ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
ethyl 5-(2-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 67338384
ethyl 5-[2-(ethylcarbamoylamino)-3H-benzimidazol-5-yl]pyridine-3-carboxylate
CID 21366074
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
2-hydroxy-5-(5-methyl-3-pyridinyl)benzonitrile
CID 83129877
ethyl 4-pyrimidin-5-ylbenzoate
CID 12946641
4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile
CID 142442040
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
ethyl 5-cyano-6-methylsulfanylpyridine-3-carboxylate
CID 54004334
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate (CID 69355460) is ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2ccc(C#N)c(O)c2)c1.
What is the InChIKey of ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate?
The InChIKey is OWIJPRNHIBIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-15(19)13-5-12(8-17-9-13)10-3-4-11(7-16)14(18)6-10/h3-6,8-9,18H,2H2,1H3.
What are the key properties of ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate?
ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 69355460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).