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

C10H8F5NO3 — CID 133099443

IUPAC2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESCOc1cnc(C(F)(F)F)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C10H8F5NO3/c1-19-5-3-16-8(10(13,14)15)7(9(11)12)4(5)2-6(17)18/h3,9H,2H2,1H3,(H,17,18)
InChIKeyLNXUUPJHDDQGDX-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.67
Rot. Bonds4

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

2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 133099443) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID133099443
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Name2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESCOc1cnc(C(F)(F)F)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C10H8F5NO3/c1-19-5-3-16-8(10(13,14)15)7(9(11)12)4(5)2-6(17)18/h3,9H,2H2,1H3,(H,17,18)
InChIKeyLNXUUPJHDDQGDX-UHFFFAOYSA-N
XLogP2.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
CID 133105324
4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118852185
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
methyl 2-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
2-[6-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118820536
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetic acid
CID 133099309
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118799601
2-[4-methoxy-6-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 105497396

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 133099443) is 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid is COc1cnc(C(F)(F)F)c(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is LNXUUPJHDDQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-19-5-3-16-8(10(13,14)15)7(9(11)12)4(5)2-6(17)18/h3,9H,2H2,1H3,(H,17,18).
What are the key properties of 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 285.17 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133099443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).