(4-phenylphenyl)methyl pyridine-3-carboxylate

C19H15NO2 — CID 9414004

IUPAC(4-phenylphenyl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C19H15NO2/c21-19(18-7-4-12-20-13-18)22-14-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-13H,14H2
InChIKeyMAFIYBNFRZLWNJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.11
Rot. Bonds4

About (4-phenylphenyl)methyl pyridine-3-carboxylate

(4-phenylphenyl)methyl pyridine-3-carboxylate (PubChem CID 9414004) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (4-phenylphenyl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl pyridine-3-carboxylate
PubChem CID9414004
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(4-phenylphenyl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C19H15NO2/c21-19(18-7-4-12-20-13-18)22-14-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-13H,14H2
InChIKeyMAFIYBNFRZLWNJ-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
CID 162157539
[4-(2-oxo-2-phenacyloxyethyl)phenyl]methyl pyridine-3-carboxylate
CID 141114966
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
benzyl pyridine-3-carboxylate;ethyl 4-aminobenzoate
CID 174833774
(4-phenylphenyl)methyl 6-chloropyridine-3-carboxylate
CID 18225999
benzyl pyridine-3-carboxylate;ethyl 2-aminobenzoate
CID 157354656
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
CID 51031907
CID 51031907
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl pyridine-3-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl pyridine-3-carboxylate (CID 9414004) is (4-phenylphenyl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl pyridine-3-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl pyridine-3-carboxylate is O=C(OCc1ccc(-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of (4-phenylphenyl)methyl pyridine-3-carboxylate?
The InChIKey is MAFIYBNFRZLWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(18-7-4-12-20-13-18)22-14-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-13H,14H2.
What are the key properties of (4-phenylphenyl)methyl pyridine-3-carboxylate?
(4-phenylphenyl)methyl pyridine-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 9414004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).