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

C9H5F6NO3 — CID 118852040

IUPAC2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C9H5F6NO3/c10-7(11)4-1-3(2-5(17)18)16-8(12)6(4)19-9(13,14)15/h1,7H,2H2,(H,17,18)
InChIKeyMZTAAMWNPBZJBK-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.68
Rot. Bonds4

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

2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 118852040) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID118852040
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(OC(F)(F)F)c(F)n1
InChIInChI=1S/C9H5F6NO3/c10-7(11)4-1-3(2-5(17)18)16-8(12)6(4)19-9(13,14)15/h1,7H,2H2,(H,17,18)
InChIKeyMZTAAMWNPBZJBK-UHFFFAOYSA-N
XLogP2.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.68
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-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118838270
2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680885
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130096523
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133099163

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 118852040) is 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)F)c(OC(F)(F)F)c(F)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is MZTAAMWNPBZJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-7(11)4-1-3(2-5(17)18)16-8(12)6(4)19-9(13,14)15/h1,7H,2H2,(H,17,18).
What are the key properties of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 289.13 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118852040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).