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

C9H5F6NO2 — CID 133103853

IUPAC2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)nc(F)c1C(F)F
InChIInChI=1S/C9H5F6NO2/c10-7(11)6-3(2-5(17)18)1-4(9(13,14)15)16-8(6)12/h1,7H,2H2,(H,17,18)
InChIKeyXUBNSHYZELVUPN-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.80
Rot. Bonds3

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

2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 133103853) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID133103853
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Name2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)nc(F)c1C(F)F
InChIInChI=1S/C9H5F6NO2/c10-7(11)6-3(2-5(17)18)1-4(9(13,14)15)16-8(6)12/h1,7H,2H2,(H,17,18)
InChIKeyXUBNSHYZELVUPN-UHFFFAOYSA-N
XLogP2.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133103838
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
2-[4-cyano-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850473
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674290
2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134659573
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118843963
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 119014578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 133103853) is 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)nc(F)c1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is XUBNSHYZELVUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c10-7(11)6-3(2-5(17)18)1-4(9(13,14)15)16-8(6)12/h1,7H,2H2,(H,17,18).
What are the key properties of 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133103853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).