2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid

C9H8F3NO3 — CID 133105323

IUPAC2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)cnc(F)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-16-7-4(2-5(14)15)3-13-9(12)6(7)8(10)11/h3,8H,2H2,1H3,(H,14,15)
InChIKeyFKAPLNBOLAUEOD-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.79
Rot. Bonds4

About 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid

2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid (PubChem CID 133105323) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
PubChem CID133105323
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)cnc(F)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-16-7-4(2-5(14)15)3-13-9(12)6(7)8(10)11/h3,8H,2H2,1H3,(H,14,15)
InChIKeyFKAPLNBOLAUEOD-UHFFFAOYSA-N
XLogP1.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
CID 133105324
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118805918
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683
2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763
2-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
CID 130080806

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid (CID 133105323) is 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid is COc1c(CC(=O)O)cnc(F)c1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid?
The InChIKey is FKAPLNBOLAUEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-16-7-4(2-5(14)15)3-13-9(12)6(7)8(10)11/h3,8H,2H2,1H3,(H,14,15).
What are the key properties of 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid?
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid has a molecular weight of 235.16 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 133105323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).