2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate

C15H14NO5- — CID 22938063

IUPAC2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)[O-])ccn2)cc(OC)c1OC
InChIInChI=1S/C15H15NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)11-6-9(15(17)18)4-5-16-11/h4-8H,1-3H3,(H,17,18)/p-1
InChIKeyZLOPNYLSAXNARA-UHFFFAOYSA-M
MW288.28 g/mol
LogP1.14
Rot. Bonds5

About 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate

2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate (PubChem CID 22938063) has the molecular formula C15H14NO5- and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
PubChem CID22938063
Molecular FormulaC15H14NO5-
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
SMILESCOc1cc(-c2cc(C(=O)[O-])ccn2)cc(OC)c1OC
InChIInChI=1S/C15H15NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)11-6-9(15(17)18)4-5-16-11/h4-8H,1-3H3,(H,17,18)/p-1
InChIKeyZLOPNYLSAXNARA-UHFFFAOYSA-M
XLogP1.14
TPSA80.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[2-(4-hydroxy-3-methoxy-5-nitrophenyl)-4-pyridinyl]methanone
CID 154492617
sodium;molecular hydrogen;3,4,5-trimethoxybenzoate
CID 145079800
3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
CID 18674989
phenyl-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 18546829
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
ethane;3-methoxy-5-[4-[[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142882142
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
4-methoxy-6-(3,4,5-trimethoxyphenyl)pyrimidine
CID 118741260
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
ethane;1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-one
CID 142818332
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
CID 141070239

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate (CID 22938063) is 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate is COc1cc(-c2cc(C(=O)[O-])ccn2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate?
The InChIKey is ZLOPNYLSAXNARA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)11-6-9(15(17)18)4-5-16-11/h4-8H,1-3H3,(H,17,18)/p-1.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate?
2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 22938063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).