ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate

C17H19NO3 — CID 132962109

IUPACethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CC)cc(Cc2ccccc2)c1O
InChIInChI=1S/C17H19NO3/c1-3-14-11-13(10-12-8-6-5-7-9-12)16(19)15(18-14)17(20)21-4-2/h5-9,11,19H,3-4,10H2,1-2H3
InChIKeyRLXUTSZYUWNNOJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.12
Rot. Bonds5

About ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate

ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate (PubChem CID 132962109) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate
PubChem CID132962109
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CC)cc(Cc2ccccc2)c1O
InChIInChI=1S/C17H19NO3/c1-3-14-11-13(10-12-8-6-5-7-9-12)16(19)15(18-14)17(20)21-4-2/h5-9,11,19H,3-4,10H2,1-2H3
InChIKeyRLXUTSZYUWNNOJ-UHFFFAOYSA-N
XLogP3.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102582435
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CID 86240773
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CID 25194907
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 4-[6-[(2-benzylphenyl)methyl]-4-cyano-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 162742775
ethyl 2-amino-5-benzyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71608505
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
CID 15404215
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
ethyl 4-benzyl-2,3-dichlorobenzoate
CID 70381316
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate?
The IUPAC name of ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate (CID 132962109) is ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate?
The canonical SMILES for ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate is CCOC(=O)c1nc(CC)cc(Cc2ccccc2)c1O.
What is the InChIKey of ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate?
The InChIKey is RLXUTSZYUWNNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-14-11-13(10-12-8-6-5-7-9-12)16(19)15(18-14)17(20)21-4-2/h5-9,11,19H,3-4,10H2,1-2H3.
What are the key properties of ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate?
ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 132962109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).