methyl 4-methoxy-3-pyridin-2-ylbenzoate

C14H13NO3 — CID 70840507

IUPACmethyl 4-methoxy-3-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(OC)c(-c2ccccn2)c1
InChIInChI=1S/C14H13NO3/c1-17-13-7-6-10(14(16)18-2)9-11(13)12-5-3-4-8-15-12/h3-9H,1-2H3
InChIKeyCHZBSEJZBOZEQL-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.54
Rot. Bonds3

About methyl 4-methoxy-3-pyridin-2-ylbenzoate

methyl 4-methoxy-3-pyridin-2-ylbenzoate (PubChem CID 70840507) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 4-methoxy-3-pyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-pyridin-2-ylbenzoate
PubChem CID70840507
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 4-methoxy-3-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(OC)c(-c2ccccn2)c1
InChIInChI=1S/C14H13NO3/c1-17-13-7-6-10(14(16)18-2)9-11(13)12-5-3-4-8-15-12/h3-9H,1-2H3
InChIKeyCHZBSEJZBOZEQL-UHFFFAOYSA-N
XLogP2.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
2-pyridin-3-ylethyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 71967557
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
CID 120517382
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227
4-methoxy-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-pyridin-2-ylbenzamide
CID 99576828
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451
4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide
CID 97086951
N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 109399395

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-pyridin-2-ylbenzoate?
The IUPAC name of methyl 4-methoxy-3-pyridin-2-ylbenzoate (CID 70840507) is methyl 4-methoxy-3-pyridin-2-ylbenzoate.
What is the SMILES notation for methyl 4-methoxy-3-pyridin-2-ylbenzoate?
The canonical SMILES for methyl 4-methoxy-3-pyridin-2-ylbenzoate is COC(=O)c1ccc(OC)c(-c2ccccn2)c1.
What is the InChIKey of methyl 4-methoxy-3-pyridin-2-ylbenzoate?
The InChIKey is CHZBSEJZBOZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-7-6-10(14(16)18-2)9-11(13)12-5-3-4-8-15-12/h3-9H,1-2H3.
What are the key properties of methyl 4-methoxy-3-pyridin-2-ylbenzoate?
methyl 4-methoxy-3-pyridin-2-ylbenzoate has a molecular weight of 243.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-pyridin-2-ylbenzoate is sourced from PubChem (CID 70840507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).