2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid

C14H9Cl2F2NO4 — CID 118054851

IUPAC2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Cl)c(-c2cc(Cl)ccc2OC(F)F)cc1=O
InChIInChI=1S/C14H9Cl2F2NO4/c15-7-1-2-11(23-14(17)18)9(3-7)8-4-12(20)19(5-10(8)16)6-13(21)22/h1-5,14H,6H2,(H,21,22)
InChIKeyVAPOSUUPZSWMRB-UHFFFAOYSA-N
MW364.13 g/mol
LogP3.51
Rot. Bonds5

About 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid

2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 118054851) has the molecular formula C14H9Cl2F2NO4 and a molecular weight of 364.13 g/mol. Its IUPAC name is 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID118054851
Molecular FormulaC14H9Cl2F2NO4
Molecular Weight364.13 g/mol
Exact Mass362.99
IUPAC Name2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(Cl)c(-c2cc(Cl)ccc2OC(F)F)cc1=O
InChIInChI=1S/C14H9Cl2F2NO4/c15-7-1-2-11(23-14(17)18)9(3-7)8-4-12(20)19(5-10(8)16)6-13(21)22/h1-5,14H,6H2,(H,21,22)
InChIKeyVAPOSUUPZSWMRB-UHFFFAOYSA-N
XLogP3.51
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid (CID 118054851) is 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cc(Cl)c(-c2cc(Cl)ccc2OC(F)F)cc1=O.
What is the InChIKey of 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is VAPOSUUPZSWMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO4/c15-7-1-2-11(23-14(17)18)9(3-7)8-4-12(20)19(5-10(8)16)6-13(21)22/h1-5,14H,6H2,(H,21,22).
What are the key properties of 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid?
2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 364.13 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[5-chloro-2-(difluoromethoxy)phenyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 118054851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).