ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate

C17H19NO5 — CID 22557861

IUPACethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C17H19NO5/c1-5-23-17(19)13-6-12(9-18-10-13)11-7-14(20-2)16(22-4)15(8-11)21-3/h6-10H,5H2,1-4H3
InChIKeyBRQKCIDXEIXJKI-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.95
Rot. Bonds6

About ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate

ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate (PubChem CID 22557861) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
PubChem CID22557861
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C17H19NO5/c1-5-23-17(19)13-6-12(9-18-10-13)11-7-14(20-2)16(22-4)15(8-11)21-3/h6-10H,5H2,1-4H3
InChIKeyBRQKCIDXEIXJKI-UHFFFAOYSA-N
XLogP2.95
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(3,4,5-trimethoxyphenyl)furan-3-carboxylate
CID 57338897
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 2605916
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
ethyl 5-(4-cyano-3-hydroxyphenyl)pyridine-3-carboxylate
CID 69355460
ethyl 3-(3,4,5-trimethoxybenzoyl)imidazole-4-carboxylate
CID 44597626
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
5-ethoxycarbonyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-3-carboxylic acid
CID 75397612
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155560958

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate (CID 22557861) is ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate?
The InChIKey is BRQKCIDXEIXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-5-23-17(19)13-6-12(9-18-10-13)11-7-14(20-2)16(22-4)15(8-11)21-3/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate?
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 22557861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).