bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate

C21H15F2NO4 — CID 7473146

IUPACbis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cccc(C(=O)OCc2ccc(F)cc2)n1
InChIInChI=1S/C21H15F2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2
InChIKeyYZEWCNVJYREQQW-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.07
Rot. Bonds6

About bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate

bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate (PubChem CID 7473146) has the molecular formula C21H15F2NO4 and a molecular weight of 383.35 g/mol. Its IUPAC name is bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate
PubChem CID7473146
Molecular FormulaC21H15F2NO4
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Namebis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate
SMILESO=C(OCc1ccc(F)cc1)c1cccc(C(=O)OCc2ccc(F)cc2)n1
InChIInChI=1S/C21H15F2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2
InChIKeyYZEWCNVJYREQQW-UHFFFAOYSA-N
XLogP4.07
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
Methyl quinoline-2-carboxylate
CID 421738
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022
6-Phenylpyridine-2-carboxylic Acid
CID 2762884

Frequently Asked Questions

What is the IUPAC name of bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate (CID 7473146) is bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate is O=C(OCc1ccc(F)cc1)c1cccc(C(=O)OCc2ccc(F)cc2)n1.
What is the InChIKey of bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate?
The InChIKey is YZEWCNVJYREQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2.
What are the key properties of bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate?
bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate has a molecular weight of 383.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-fluorophenyl)methyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 7473146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).