2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid

C21H18FNO5 — CID 67708899

IUPAC2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid
SMILESCc1c(O)c(OCc2ccccc2)c(-c2ccc(F)cc2)n(CC(=O)O)c1=O
InChIInChI=1S/C21H18FNO5/c1-13-19(26)20(28-12-14-5-3-2-4-6-14)18(15-7-9-16(22)10-8-15)23(21(13)27)11-17(24)25/h2-10,26H,11-12H2,1H3,(H,24,25)
InChIKeyVRPHAAMCWNKNOY-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.33
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid

2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid (PubChem CID 67708899) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid
PubChem CID67708899
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC Name2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid
SMILESCc1c(O)c(OCc2ccccc2)c(-c2ccc(F)cc2)n(CC(=O)O)c1=O
InChIInChI=1S/C21H18FNO5/c1-13-19(26)20(28-12-14-5-3-2-4-6-14)18(15-7-9-16(22)10-8-15)23(21(13)27)11-17(24)25/h2-10,26H,11-12H2,1H3,(H,24,25)
InChIKeyVRPHAAMCWNKNOY-UHFFFAOYSA-N
XLogP3.33
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid (CID 67708899) is 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid is Cc1c(O)c(OCc2ccccc2)c(-c2ccc(F)cc2)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid?
The InChIKey is VRPHAAMCWNKNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-13-19(26)20(28-12-14-5-3-2-4-6-14)18(15-7-9-16(22)10-8-15)23(21(13)27)11-17(24)25/h2-10,26H,11-12H2,1H3,(H,24,25).
What are the key properties of 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid?
2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid has a molecular weight of 383.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-3-phenylmethoxy-1-pyridinyl]acetic acid is sourced from PubChem (CID 67708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).