methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate

C15H15NO3 — CID 67528907

IUPACmethyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cccnc2OC)c(C)c1
InChIInChI=1S/C15H15NO3/c1-10-9-11(15(17)19-3)6-7-12(10)13-5-4-8-16-14(13)18-2/h4-9H,1-3H3
InChIKeyJDQFTANFQGSCCR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.85
Rot. Bonds3

About methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate

methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate (PubChem CID 67528907) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
PubChem CID67528907
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cccnc2OC)c(C)c1
InChIInChI=1S/C15H15NO3/c1-10-9-11(15(17)19-3)6-7-12(10)13-5-4-8-16-14(13)18-2/h4-9H,1-3H3
InChIKeyJDQFTANFQGSCCR-UHFFFAOYSA-N
XLogP2.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.85
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-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
CID 24766142
methyl 3-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723743
3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
CID 131981623
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
1-[3-fluoro-4-(2-methoxy-3-pyridinyl)phenyl]-3-(2-methylphenyl)urea
CID 69300355
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate?
The IUPAC name of methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate (CID 67528907) is methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate?
The canonical SMILES for methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate is COC(=O)c1ccc(-c2cccnc2OC)c(C)c1.
What is the InChIKey of methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate?
The InChIKey is JDQFTANFQGSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-9-11(15(17)19-3)6-7-12(10)13-5-4-8-16-14(13)18-2/h4-9H,1-3H3.
What are the key properties of methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate?
methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate is sourced from PubChem (CID 67528907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).