(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate

C15H15NO3 — CID 55443929

IUPAC(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCc2cccc(C)c2)cn1
InChIInChI=1S/C15H15NO3/c1-11-4-3-5-12(8-11)10-19-15(17)13-6-7-14(18-2)16-9-13/h3-9H,10H2,1-2H3
InChIKeyRIBWQPPADFUNOY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds4

About (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate

(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate (PubChem CID 55443929) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate
PubChem CID55443929
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCc2cccc(C)c2)cn1
InChIInChI=1S/C15H15NO3/c1-11-4-3-5-12(8-11)10-19-15(17)13-6-7-14(18-2)16-9-13/h3-9H,10H2,1-2H3
InChIKeyRIBWQPPADFUNOY-UHFFFAOYSA-N
XLogP2.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
(3-methylphenyl)methyl 4-(1-methyltetrazol-5-yl)benzoate
CID 23541004
(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18205883
N-cyclobutyl-6-[(3-methylphenyl)methoxy]pyridine-3-carboxamide
CID 58368099
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
(3-methylphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204428
(3-methylphenyl)methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 40613741
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
CID 27020385
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate?
The IUPAC name of (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate (CID 55443929) is (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate?
The canonical SMILES for (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)OCc2cccc(C)c2)cn1.
What is the InChIKey of (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate?
The InChIKey is RIBWQPPADFUNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-4-3-5-12(8-11)10-19-15(17)13-6-7-14(18-2)16-9-13/h3-9H,10H2,1-2H3.
What are the key properties of (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate?
(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 55443929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).