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

C9H4F7NO3 — CID 134680429

IUPAC2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(F)cnc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4F7NO3/c10-4-2-17-7(20-9(14,15)16)6(8(11,12)13)3(4)1-5(18)19/h2H,1H2,(H,18,19)
InChIKeyVEDBPZBCBDSKOU-UHFFFAOYSA-N
MW307.12 g/mol
LogP2.77
Rot. Bonds3

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

2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 134680429) has the molecular formula C9H4F7NO3 and a molecular weight of 307.12 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID134680429
Molecular FormulaC9H4F7NO3
Molecular Weight307.12 g/mol
Exact Mass307.01
IUPAC Name2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(F)cnc(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4F7NO3/c10-4-2-17-7(20-9(14,15)16)6(8(11,12)13)3(4)1-5(18)19/h2H,1H2,(H,18,19)
InChIKeyVEDBPZBCBDSKOU-UHFFFAOYSA-N
XLogP2.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118811704
ethyl 2-[5-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134661682
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-[4-iodo-5-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680637
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049
methyl 4-(chloromethyl)-5-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659635
2-[4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682584
5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134669439
2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134659981

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 134680429) is 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1c(F)cnc(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is VEDBPZBCBDSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F7NO3/c10-4-2-17-7(20-9(14,15)16)6(8(11,12)13)3(4)1-5(18)19/h2H,1H2,(H,18,19).
What are the key properties of 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 307.12 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134680429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).