4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid

C21H17F2NO4 — CID 69026152

IUPAC4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
SMILESCc1cc(-n2c(C)cc(OCc3cccc(F)c3F)cc2=O)ccc1C(=O)O
InChIInChI=1S/C21H17F2NO4/c1-12-8-15(6-7-17(12)21(26)27)24-13(2)9-16(10-19(24)25)28-11-14-4-3-5-18(22)20(14)23/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyLPFLEXRIRKHEFU-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.01
Rot. Bonds5

About 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid

4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid (PubChem CID 69026152) has the molecular formula C21H17F2NO4 and a molecular weight of 385.37 g/mol. Its IUPAC name is 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
PubChem CID69026152
Molecular FormulaC21H17F2NO4
Molecular Weight385.37 g/mol
Exact Mass385.11
IUPAC Name4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
SMILESCc1cc(-n2c(C)cc(OCc3cccc(F)c3F)cc2=O)ccc1C(=O)O
InChIInChI=1S/C21H17F2NO4/c1-12-8-15(6-7-17(12)21(26)27)24-13(2)9-16(10-19(24)25)28-11-14-4-3-5-18(22)20(14)23/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyLPFLEXRIRKHEFU-UHFFFAOYSA-N
XLogP4.01
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid?
The IUPAC name of 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid (CID 69026152) is 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid.
What is the SMILES notation for 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid?
The canonical SMILES for 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid is Cc1cc(-n2c(C)cc(OCc3cccc(F)c3F)cc2=O)ccc1C(=O)O.
What is the InChIKey of 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid?
The InChIKey is LPFLEXRIRKHEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO4/c1-12-8-15(6-7-17(12)21(26)27)24-13(2)9-16(10-19(24)25)28-11-14-4-3-5-18(22)20(14)23/h3-10H,11H2,1-2H3,(H,26,27).
What are the key properties of 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid?
4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid has a molecular weight of 385.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid is sourced from PubChem (CID 69026152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).