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

C14H12FNO5 — CID 67708820

IUPAC2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid
SMILESCc1c(O)c(O)c(-c2ccc(F)cc2)n(CC(=O)O)c1=O
InChIInChI=1S/C14H12FNO5/c1-7-12(19)13(20)11(8-2-4-9(15)5-3-8)16(14(7)21)6-10(17)18/h2-5,19-20H,6H2,1H3,(H,17,18)
InChIKeyXZDZGIUUNUBCCN-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.46
Rot. Bonds3

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

2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid (PubChem CID 67708820) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid
PubChem CID67708820
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid
SMILESCc1c(O)c(O)c(-c2ccc(F)cc2)n(CC(=O)O)c1=O
InChIInChI=1S/C14H12FNO5/c1-7-12(19)13(20)11(8-2-4-9(15)5-3-8)16(14(7)21)6-10(17)18/h2-5,19-20H,6H2,1H3,(H,17,18)
InChIKeyXZDZGIUUNUBCCN-UHFFFAOYSA-N
XLogP1.46
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid (CID 67708820) is 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid is Cc1c(O)c(O)c(-c2ccc(F)cc2)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid?
The InChIKey is XZDZGIUUNUBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-7-12(19)13(20)11(8-2-4-9(15)5-3-8)16(14(7)21)6-10(17)18/h2-5,19-20H,6H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid?
2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 67708820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).