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

C9H5F6NO3 — CID 134680885

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

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

2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 134680885) has the molecular formula C9H5F6NO3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID134680885
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)c(OC(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C9H5F6NO3/c10-4-1-3(2-5(17)18)16-6(8(11)12)7(4)19-9(13,14)15/h1,8H,2H2,(H,17,18)
InChIKeyRTGKGOZQSNLURH-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

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Related Compounds

2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118838270
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119018182
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837693
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118804931
2-[4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134682629
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 134680885) is 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(F)c(OC(F)(F)F)c(C(F)F)n1.
What is the InChIKey of 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is RTGKGOZQSNLURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-4-1-3(2-5(17)18)16-6(8(11)12)7(4)19-9(13,14)15/h1,8H,2H2,(H,17,18).
What are the key properties of 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[6-(difluoromethyl)-4-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-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134680885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).