6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid

C19H13F2NO3 — CID 69039879

IUPAC6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2F)c2ccccc2F)[nH]c1=O
InChIInChI=1S/C19H13F2NO3/c20-14-7-3-1-5-11(14)17(12-6-2-4-8-15(12)21)16-10-9-13(19(24)25)18(23)22-16/h1-10,17H,(H,22,23)(H,24,25)
InChIKeyMURIWFCXWGNELF-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.53
Rot. Bonds4

About 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 69039879) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID69039879
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(c2ccccc2F)c2ccccc2F)[nH]c1=O
InChIInChI=1S/C19H13F2NO3/c20-14-7-3-1-5-11(14)17(12-6-2-4-8-15(12)21)16-10-9-13(19(24)25)18(23)22-16/h1-10,17H,(H,22,23)(H,24,25)
InChIKeyMURIWFCXWGNELF-UHFFFAOYSA-N
XLogP3.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 69039879) is 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(C(c2ccccc2F)c2ccccc2F)[nH]c1=O.
What is the InChIKey of 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is MURIWFCXWGNELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c20-14-7-3-1-5-11(14)17(12-6-2-4-8-15(12)21)16-10-9-13(19(24)25)18(23)22-16/h1-10,17H,(H,22,23)(H,24,25).
What are the key properties of 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid?
6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 341.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 69039879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).