ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate

C17H16N2O4 — CID 139227066

IUPACethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(OC)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C17H16N2O4/c1-4-23-17(21)14-10(2)19-16(22-3)13(9-18)15(14)11-5-7-12(20)8-6-11/h5-8,20H,4H2,1-3H3
InChIKeyZRYUSIXNZWULCT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.82
Rot. Bonds4

About ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate

ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate (PubChem CID 139227066) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate
PubChem CID139227066
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Nameethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(OC)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C17H16N2O4/c1-4-23-17(21)14-10(2)19-16(22-3)13(9-18)15(14)11-5-7-12(20)8-6-11/h5-8,20H,4H2,1-3H3
InChIKeyZRYUSIXNZWULCT-UHFFFAOYSA-N
XLogP2.82
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-bromophenyl)-5-cyano-6-methoxy-2-methylpyridine-3-carboxylate
CID 57328153
ethyl 5-cyano-6-[(3-cyano-5-ethoxycarbonyl-6-methyl-4-pyridin-4-yl-2-pyridinyl)diazenyl]-2-methyl-4-pyridin-4-ylpyridine-3-carboxylate
CID 70675449
ethyl 4-cyano-3-(4-hydroxyphenyl)-1,5-dimethylpyrrole-2-carboxylate
CID 69019512
ethyl 3,5-dicyano-2-hydroxy-4,6-diphenylbenzoate
CID 100964726
diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 11291749
ethyl 4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-sulfanylidene-1H-pyridine-3-carboxylate
CID 176980515
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907
ethyl 5-cyano-4-(4-methylphenyl)-6-(2-methylpropyl)-2-phenylpyridine-3-carboxylate
CID 69445356
diethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate
CID 102230049
3-O-ethyl 5-O-methyl 2-amino-6-methyl-4-(4-methylphenyl)pyridine-3,5-dicarboxylate
CID 71208997
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate (CID 139227066) is ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate is CCOC(=O)c1c(C)nc(OC)c(C#N)c1-c1ccc(O)cc1.
What is the InChIKey of ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate?
The InChIKey is ZRYUSIXNZWULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-4-23-17(21)14-10(2)19-16(22-3)13(9-18)15(14)11-5-7-12(20)8-6-11/h5-8,20H,4H2,1-3H3.
What are the key properties of ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate?
ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 139227066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).