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

C14H13NO2 — CID 24829012

IUPACmethyl 3-methyl-4-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccn2)c(C)c1
InChIInChI=1S/C14H13NO2/c1-10-9-11(14(16)17-2)6-7-12(10)13-5-3-4-8-15-13/h3-9H,1-2H3
InChIKeyJNTYFWZAQYNIQN-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

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

methyl 3-methyl-4-pyridin-2-ylbenzoate (PubChem CID 24829012) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 3-methyl-4-pyridin-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-pyridin-2-ylbenzoate
PubChem CID24829012
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 3-methyl-4-pyridin-2-ylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccn2)c(C)c1
InChIInChI=1S/C14H13NO2/c1-10-9-11(14(16)17-2)6-7-12(10)13-5-3-4-8-15-13/h3-9H,1-2H3
InChIKeyJNTYFWZAQYNIQN-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
CID 67528907
3-O-ethyl 6-O-methyl 1-pyridin-2-ylindolizine-3,6-dicarboxylate
CID 21234424
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
methyl 3-methyl-4-(2-propan-2-ylphenyl)benzoate
CID 24766142
methyl 4-(3-hydroxy-2-methylphenyl)-3-methylbenzoate
CID 22606889
methyl 5-bromo-4-pyridin-2-ylthiophene-2-carboxylate
CID 169144350
CID 159558349
CID 159558349
3-methyl-4-pyridin-2-ylbenzaldehyde
CID 24899762
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-pyridin-2-ylbenzoate?
The IUPAC name of methyl 3-methyl-4-pyridin-2-ylbenzoate (CID 24829012) is methyl 3-methyl-4-pyridin-2-ylbenzoate.
What is the SMILES notation for methyl 3-methyl-4-pyridin-2-ylbenzoate?
The canonical SMILES for methyl 3-methyl-4-pyridin-2-ylbenzoate is COC(=O)c1ccc(-c2ccccn2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-pyridin-2-ylbenzoate?
The InChIKey is JNTYFWZAQYNIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-9-11(14(16)17-2)6-7-12(10)13-5-3-4-8-15-13/h3-9H,1-2H3.
What are the key properties of methyl 3-methyl-4-pyridin-2-ylbenzoate?
methyl 3-methyl-4-pyridin-2-ylbenzoate has a molecular weight of 227.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-pyridin-2-ylbenzoate is sourced from PubChem (CID 24829012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).