methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate

C21H19NO3 — CID 166630691

IUPACmethyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC
InChIInChI=1S/C21H19NO3/c1-14-16(15-8-5-4-6-9-15)10-7-11-17(14)19-13-12-18(21(23)25-3)20(22-19)24-2/h4-13H,1-3H3
InChIKeyRFBNVZYANNKOBX-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.52
Rot. Bonds4

About methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate

methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate (PubChem CID 166630691) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate
PubChem CID166630691
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC
InChIInChI=1S/C21H19NO3/c1-14-16(15-8-5-4-6-9-15)10-7-11-17(14)19-13-12-18(21(23)25-3)20(22-19)24-2/h4-13H,1-3H3
InChIKeyRFBNVZYANNKOBX-UHFFFAOYSA-N
XLogP4.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate (CID 166630691) is methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2cccc(-c3ccccc3)c2C)nc1OC.
What is the InChIKey of methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate?
The InChIKey is RFBNVZYANNKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-16(15-8-5-4-6-9-15)10-7-11-17(14)19-13-12-18(21(23)25-3)20(22-19)24-2/h4-13H,1-3H3.
What are the key properties of methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate?
methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 166630691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).