methyl 4-(4-phenylphenyl)pyridine-2-carboxylate

C19H15NO2 — CID 70853401

IUPACmethyl 4-(4-phenylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C19H15NO2/c1-22-19(21)18-13-17(11-12-20-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyZVFLSWRLDIQLDN-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.20
Rot. Bonds3

About methyl 4-(4-phenylphenyl)pyridine-2-carboxylate

methyl 4-(4-phenylphenyl)pyridine-2-carboxylate (PubChem CID 70853401) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 4-(4-phenylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-phenylphenyl)pyridine-2-carboxylate
PubChem CID70853401
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-(4-phenylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C19H15NO2/c1-22-19(21)18-13-17(11-12-20-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyZVFLSWRLDIQLDN-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-phenylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-phenylphenyl)pyridine-2-carboxylate (CID 70853401) is methyl 4-(4-phenylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-phenylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-phenylphenyl)pyridine-2-carboxylate is COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of methyl 4-(4-phenylphenyl)pyridine-2-carboxylate?
The InChIKey is ZVFLSWRLDIQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-22-19(21)18-13-17(11-12-20-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of methyl 4-(4-phenylphenyl)pyridine-2-carboxylate?
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-phenylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 70853401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).