2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid

C8H6F3NO2 — CID 130096522

IUPAC2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(C(F)F)c1
InChIInChI=1S/C8H6F3NO2/c9-7(10)5-1-4(2-6(13)14)3-12-8(5)11/h1,3,7H,2H2,(H,13,14)
InChIKeyGCWHTAFOPSVGRG-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.79
Rot. Bonds3

About 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid

2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid (PubChem CID 130096522) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
PubChem CID130096522
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(C(F)F)c1
InChIInChI=1S/C8H6F3NO2/c9-7(10)5-1-4(2-6(13)14)3-12-8(5)11/h1,3,7H,2H2,(H,13,14)
InChIKeyGCWHTAFOPSVGRG-UHFFFAOYSA-N
XLogP1.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.79
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

2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
2-[4-bromo-5-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130109840
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
3-(difluoromethyl)-2,5-difluoropyridine
CID 70480194
2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133088994
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
CID 84666078
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid (CID 130096522) is 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(F)c(C(F)F)c1.
What is the InChIKey of 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The InChIKey is GCWHTAFOPSVGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-7(10)5-1-4(2-6(13)14)3-12-8(5)11/h1,3,7H,2H2,(H,13,14).
What are the key properties of 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid has a molecular weight of 205.13 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 130096522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).