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

C15H12ClF2NO5 — CID 118877932

IUPAC2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid
SMILESCOc1cn(CC(=O)O)c(=O)cc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H12ClF2NO5/c1-23-12-6-19(7-14(21)22)13(20)5-10(12)9-4-8(16)2-3-11(9)24-15(17)18/h2-6,15H,7H2,1H3,(H,21,22)
InChIKeyMZOPXVYHJAEUHN-UHFFFAOYSA-N
MW359.71 g/mol
LogP2.86
Rot. Bonds6

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

2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid (PubChem CID 118877932) has the molecular formula C15H12ClF2NO5 and a molecular weight of 359.71 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid
PubChem CID118877932
Molecular FormulaC15H12ClF2NO5
Molecular Weight359.71 g/mol
Exact Mass359.04
IUPAC Name2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid
SMILESCOc1cn(CC(=O)O)c(=O)cc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H12ClF2NO5/c1-23-12-6-19(7-14(21)22)13(20)5-10(12)9-4-8(16)2-3-11(9)24-15(17)18/h2-6,15H,7H2,1H3,(H,21,22)
InChIKeyMZOPXVYHJAEUHN-UHFFFAOYSA-N
XLogP2.86
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid (CID 118877932) is 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid is COc1cn(CC(=O)O)c(=O)cc1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is MZOPXVYHJAEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO5/c1-23-12-6-19(7-14(21)22)13(20)5-10(12)9-4-8(16)2-3-11(9)24-15(17)18/h2-6,15H,7H2,1H3,(H,21,22).
What are the key properties of 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid?
2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 359.71 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 118877932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).