1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one

C19H13Cl2F2N3O3 — CID 175560411

IUPAC1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
SMILESCC(=O)c1cc(-n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)c(Cl)cn1
InChIInChI=1S/C19H13Cl2F2N3O3/c1-9-3-17(29-8-15-13(23)4-11(22)6-24-15)18(21)19(28)26(9)16-5-14(10(2)27)25-7-12(16)20/h3-7H,8H2,1-2H3
InChIKeyZUVMACDJKHIWTI-UHFFFAOYSA-N
MW440.23 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one

1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (PubChem CID 175560411) has the molecular formula C19H13Cl2F2N3O3 and a molecular weight of 440.23 g/mol. Its IUPAC name is 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
PubChem CID175560411
Molecular FormulaC19H13Cl2F2N3O3
Molecular Weight440.23 g/mol
Exact Mass439.03
IUPAC Name1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
SMILESCC(=O)c1cc(-n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)c(Cl)cn1
InChIInChI=1S/C19H13Cl2F2N3O3/c1-9-3-17(29-8-15-13(23)4-11(22)6-24-15)18(21)19(28)26(9)16-5-14(10(2)27)25-7-12(16)20/h3-7H,8H2,1-2H3
InChIKeyZUVMACDJKHIWTI-UHFFFAOYSA-N
XLogP4.30
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (CID 175560411) is 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is CC(=O)c1cc(-n2c(C)cc(OCc3ncc(F)cc3F)c(Cl)c2=O)c(Cl)cn1.
What is the InChIKey of 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is ZUVMACDJKHIWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2N3O3/c1-9-3-17(29-8-15-13(23)4-11(22)6-24-15)18(21)19(28)26(9)16-5-14(10(2)27)25-7-12(16)20/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 440.23 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-5-chloro-4-pyridinyl)-3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 175560411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).