4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid

C20H15ClF2N2O4 — CID 67776453

IUPAC4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C20H15ClF2N2O4/c1-10-8-24-15(20(27)28)7-16(10)25-11(2)5-17(18(21)19(25)26)29-9-12-3-4-13(22)6-14(12)23/h3-8H,9H2,1-2H3,(H,27,28)
InChIKeyYBDWYGGAEWTRCF-UHFFFAOYSA-N
MW420.80 g/mol
LogP4.06
Rot. Bonds5

About 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid

4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid (PubChem CID 67776453) has the molecular formula C20H15ClF2N2O4 and a molecular weight of 420.80 g/mol. Its IUPAC name is 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid
PubChem CID67776453
Molecular FormulaC20H15ClF2N2O4
Molecular Weight420.80 g/mol
Exact Mass420.07
IUPAC Name4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C20H15ClF2N2O4/c1-10-8-24-15(20(27)28)7-16(10)25-11(2)5-17(18(21)19(25)26)29-9-12-3-4-13(22)6-14(12)23/h3-8H,9H2,1-2H3,(H,27,28)
InChIKeyYBDWYGGAEWTRCF-UHFFFAOYSA-N
XLogP4.06
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid (CID 67776453) is 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid is Cc1cnc(C(=O)O)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid?
The InChIKey is YBDWYGGAEWTRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O4/c1-10-8-24-15(20(27)28)7-16(10)25-11(2)5-17(18(21)19(25)26)29-9-12-3-4-13(22)6-14(12)23/h3-8H,9H2,1-2H3,(H,27,28).
What are the key properties of 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid?
4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid has a molecular weight of 420.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 67776453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).