2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid

C9H5F6NO3 — CID 118800590

IUPAC2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5F6NO3/c10-7(11)5-3(1-4(17)18)2-16-8(12)6(5)19-9(13,14)15/h2,7H,1H2,(H,17,18)
InChIKeyJZAXDZUEOBYBSS-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid

2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 118800590) 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)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID118800590
Molecular FormulaC9H5F6NO3
Molecular Weight289.13 g/mol
Exact Mass289.02
IUPAC Name2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(F)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5F6NO3/c10-7(11)5-3(1-4(17)18)2-16-8(12)6(5)19-9(13,14)15/h2,7H,1H2,(H,17,18)
InChIKeyJZAXDZUEOBYBSS-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-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
ethyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134678954
[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119003837
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 118800590) is 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(F)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is JZAXDZUEOBYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO3/c10-7(11)5-3(1-4(17)18)2-16-8(12)6(5)19-9(13,14)15/h2,7H,1H2,(H,17,18).
What are the key properties of 2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-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)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118800590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).