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

C10H11F2NO3 — CID 133099700

IUPAC2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)nc(C)c1CC(=O)O
InChIInChI=1S/C10H11F2NO3/c1-5-6(3-9(14)15)8(16-2)4-7(13-5)10(11)12/h4,10H,3H2,1-2H3,(H,14,15)
InChIKeyRUGMMKYKHGQAEO-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.96
Rot. Bonds4

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

2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid (PubChem CID 133099700) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
PubChem CID133099700
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)nc(C)c1CC(=O)O
InChIInChI=1S/C10H11F2NO3/c1-5-6(3-9(14)15)8(16-2)4-7(13-5)10(11)12/h4,10H,3H2,1-2H3,(H,14,15)
InChIKeyRUGMMKYKHGQAEO-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
2-[6-(difluoromethyl)-2-methoxy-4-nitro-3-pyridinyl]acetic acid
CID 133099793
6-(difluoromethyl)-4-methoxy-2-methylpyridin-3-amine
CID 130105843
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 106792870
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
2-[6-methoxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670018
ethyl 2-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
2-[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119012480

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid (CID 133099700) is 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid is COc1cc(C(F)F)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid?
The InChIKey is RUGMMKYKHGQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-5-6(3-9(14)15)8(16-2)4-7(13-5)10(11)12/h4,10H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid?
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid has a molecular weight of 231.20 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 133099700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).