6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid

C15H12F3NO4 — CID 66652317

IUPAC6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid
SMILESCOCCOc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1
InChIInChI=1S/C15H12F3NO4/c1-22-4-5-23-8-6-10(17)13(11(18)7-8)14-9(16)2-3-12(19-14)15(20)21/h2-3,6-7H,4-5H2,1H3,(H,20,21)
InChIKeyPTRVULUXDRXBHV-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.89
Rot. Bonds6

About 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid

6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 66652317) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid
PubChem CID66652317
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Name6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid
SMILESCOCCOc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1
InChIInChI=1S/C15H12F3NO4/c1-22-4-5-23-8-6-10(17)13(11(18)7-8)14-9(16)2-3-12(19-14)15(20)21/h2-3,6-7H,4-5H2,1H3,(H,20,21)
InChIKeyPTRVULUXDRXBHV-UHFFFAOYSA-N
XLogP2.89
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid (CID 66652317) is 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid is COCCOc1cc(F)c(-c2nc(C(=O)O)ccc2F)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is PTRVULUXDRXBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-22-4-5-23-8-6-10(17)13(11(18)7-8)14-9(16)2-3-12(19-14)15(20)21/h2-3,6-7H,4-5H2,1H3,(H,20,21).
What are the key properties of 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid?
6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 327.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 66652317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).