methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate

C15H15NO2 — CID 54547746

IUPACmethyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Cc1ccccc1C
InChIInChI=1S/C15H15NO2/c1-11-5-3-4-6-12(11)9-13-7-8-16-10-14(13)15(17)18-2/h3-8,10H,9H2,1-2H3
InChIKeyZHSYXTFEJYEUAI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.77
Rot. Bonds3

About methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate

methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate (PubChem CID 54547746) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
PubChem CID54547746
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Cc1ccccc1C
InChIInChI=1S/C15H15NO2/c1-11-5-3-4-6-12(11)9-13-7-8-16-10-14(13)15(17)18-2/h3-8,10H,9H2,1-2H3
InChIKeyZHSYXTFEJYEUAI-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91145440
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
CID 10545389
methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
methyl 4-tridecylpyridine-3-carboxylate
CID 135057818
methyl 3-(2-ethyl-6-methylanilino)sulfanylpyridine-4-carboxylate
CID 145096058
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496
4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
CID 11459527
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
N-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 105069435

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate (CID 54547746) is methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate is COC(=O)c1cnccc1Cc1ccccc1C.
What is the InChIKey of methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate?
The InChIKey is ZHSYXTFEJYEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-5-3-4-6-12(11)9-13-7-8-16-10-14(13)15(17)18-2/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate?
methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 54547746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).