methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate

C14H15NO2 — CID 141383635

IUPACmethyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1C=CC=CN1c1ccc(C)cc1
InChIInChI=1S/C14H15NO2/c1-11-6-8-12(9-7-11)15-10-4-3-5-13(15)14(16)17-2/h3-10,13H,1-2H3
InChIKeyJOBPNWDBKVZNNE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.43
Rot. Bonds2

About methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate

methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate (PubChem CID 141383635) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate
PubChem CID141383635
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1C=CC=CN1c1ccc(C)cc1
InChIInChI=1S/C14H15NO2/c1-11-6-8-12(9-7-11)15-10-4-3-5-13(15)14(16)17-2/h3-10,13H,1-2H3
InChIKeyJOBPNWDBKVZNNE-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate (CID 141383635) is methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate is COC(=O)C1C=CC=CN1c1ccc(C)cc1.
What is the InChIKey of methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate?
The InChIKey is JOBPNWDBKVZNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-6-8-12(9-7-11)15-10-4-3-5-13(15)14(16)17-2/h3-10,13H,1-2H3.
What are the key properties of methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate?
methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)-2H-pyridine-2-carboxylate is sourced from PubChem (CID 141383635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).