(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate

C20H15F2NO3 — CID 68836003

IUPAC(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C20H15F2NO3/c21-15-5-1-13(2-6-15)11-17-9-10-18(19(24)23-17)20(25)26-12-14-3-7-16(22)8-4-14/h1-10H,11-12H2,(H,23,24)
InChIKeyKTXIYMNFJWKHAL-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.60
Rot. Bonds5

About (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate

(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 68836003) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
PubChem CID68836003
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C20H15F2NO3/c21-15-5-1-13(2-6-15)11-17-9-10-18(19(24)23-17)20(25)26-12-14-3-7-16(22)8-4-14/h1-10H,11-12H2,(H,23,24)
InChIKeyKTXIYMNFJWKHAL-UHFFFAOYSA-N
XLogP3.60
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate (CID 68836003) is (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is O=C(OCc1ccc(F)cc1)c1ccc(Cc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is KTXIYMNFJWKHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c21-15-5-1-13(2-6-15)11-17-9-10-18(19(24)23-17)20(25)26-12-14-3-7-16(22)8-4-14/h1-10H,11-12H2,(H,23,24).
What are the key properties of (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate?
(4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 355.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 6-[(4-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 68836003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).