methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate

C15H15NO4 — CID 90046409

IUPACmethyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate
SMILESCOC(=O)c1cccc(-c2cnc(OC)c(OC)c2)c1
InChIInChI=1S/C15H15NO4/c1-18-13-8-12(9-16-14(13)19-2)10-5-4-6-11(7-10)15(17)20-3/h4-9H,1-3H3
InChIKeyRVODTVYYJJDCFJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.55
Rot. Bonds4

About methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate

methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate (PubChem CID 90046409) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate
PubChem CID90046409
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate
SMILESCOC(=O)c1cccc(-c2cnc(OC)c(OC)c2)c1
InChIInChI=1S/C15H15NO4/c1-18-13-8-12(9-16-14(13)19-2)10-5-4-6-11(7-10)15(17)20-3/h4-9H,1-3H3
InChIKeyRVODTVYYJJDCFJ-UHFFFAOYSA-N
XLogP2.55
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 178039598
5-(3-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 50998562
3-(5,6-dimethoxy-3-pyridinyl)benzonitrile
CID 90046523
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzoate
CID 59599794
methyl 3-(6-cyano-3-pyridinyl)benzoate
CID 69487036
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
methyl 3-fluorobenzoate
CID 521184

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate?
The IUPAC name of methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate (CID 90046409) is methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate.
What is the SMILES notation for methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate?
The canonical SMILES for methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate is COC(=O)c1cccc(-c2cnc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate?
The InChIKey is RVODTVYYJJDCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-13-8-12(9-16-14(13)19-2)10-5-4-6-11(7-10)15(17)20-3/h4-9H,1-3H3.
What are the key properties of methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate?
methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate is sourced from PubChem (CID 90046409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).