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

C21H17F2NO4 — CID 22050325

IUPAC3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C21H17F2NO4/c1-12-3-4-14(21(26)27)8-19(12)24-13(2)7-17(10-20(24)25)28-11-15-5-6-16(22)9-18(15)23/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyZGQXJQKXGXGSPH-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.01
Rot. Bonds5

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

3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid (PubChem CID 22050325) has the molecular formula C21H17F2NO4 and a molecular weight of 385.37 g/mol. Its IUPAC name is 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
PubChem CID22050325
Molecular FormulaC21H17F2NO4
Molecular Weight385.37 g/mol
Exact Mass385.11
IUPAC Name3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)cc1=O
InChIInChI=1S/C21H17F2NO4/c1-12-3-4-14(21(26)27)8-19(12)24-13(2)7-17(10-20(24)25)28-11-15-5-6-16(22)9-18(15)23/h3-10H,11H2,1-2H3,(H,26,27)
InChIKeyZGQXJQKXGXGSPH-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

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

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Related Compounds

3-[4-[[4-fluoro-2-[(methoxycarbonylamino)methyl]phenyl]methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 22050631
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203508
4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridin-2-one
CID 22050960
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-2-(prop-2-enylamino)pyrimidin-1-yl]-4-methylbenzoic acid
CID 21089150
3-fluoro-4-[(4-methylphenoxy)methyl]benzoic acid
CID 63073092
4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
CID 69026152
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 142776165
4-[(2,4-difluorophenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 22050000
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-(hydroxymethyl)-6-oxopyrimidin-1-yl]-4-methylbenzamide
CID 21089229
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-(methylcarbamoyl)benzoic acid
CID 22050889
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-N-[(E)-2-hydroxyprop-1-enyl]-4-methylbenzamide
CID 142947559

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid?
The IUPAC name of 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid (CID 22050325) is 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)cc1=O.
What is the InChIKey of 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid?
The InChIKey is ZGQXJQKXGXGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO4/c1-12-3-4-14(21(26)27)8-19(12)24-13(2)7-17(10-20(24)25)28-11-15-5-6-16(22)9-18(15)23/h3-10H,11H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid?
3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-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 3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid is sourced from PubChem (CID 22050325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).