2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid

C8H7F2NO3 — CID 62074087

IUPAC2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid
SMILESCc1ccc(OC(F)(F)C(=O)O)cn1
InChIInChI=1S/C8H7F2NO3/c1-5-2-3-6(4-11-5)14-8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
InChIKeyZQGFMABFRNAQHG-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.45
Rot. Bonds3

About 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid

2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid (PubChem CID 62074087) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid
PubChem CID62074087
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid
SMILESCc1ccc(OC(F)(F)C(=O)O)cn1
InChIInChI=1S/C8H7F2NO3/c1-5-2-3-6(4-11-5)14-8(9,10)7(12)13/h2-4H,1H3,(H,12,13)
InChIKeyZQGFMABFRNAQHG-UHFFFAOYSA-N
XLogP1.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
2-(4-chloro-3,5-dimethylphenoxy)-2,2-difluoroacetic acid
CID 43651972
(6-methyl-3-pyridinyl) hypochlorite
CID 164916594
O-(6-methyl-3-pyridinyl)hydroxylamine
CID 143778365
3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid
CID 55182246
2-methyl-5-methylsulfanyloxypyridine
CID 142150711
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid
CID 43651958
5-fluorosulfonyloxy-2-methylpyridine
CID 118408610
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
CID 71739073

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid (CID 62074087) is 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid is Cc1ccc(OC(F)(F)C(=O)O)cn1.
What is the InChIKey of 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid?
The InChIKey is ZQGFMABFRNAQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-5-2-3-6(4-11-5)14-8(9,10)7(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid?
2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid has a molecular weight of 203.14 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 62074087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).