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

C9H4F7NO3 — CID 134659573

IUPAC2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)nc(OC(F)(F)F)c1F
InChIInChI=1S/C9H4F7NO3/c10-6-3(2-5(18)19)1-4(8(11,12)13)17-7(6)20-9(14,15)16/h1H,2H2,(H,18,19)
InChIKeySHBBUDGZLKRAML-UHFFFAOYSA-N
MW307.12 g/mol
LogP2.77
Rot. Bonds3

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

2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 134659573) has the molecular formula C9H4F7NO3 and a molecular weight of 307.12 g/mol. Its IUPAC name is 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID134659573
Molecular FormulaC9H4F7NO3
Molecular Weight307.12 g/mol
Exact Mass307.01
IUPAC Name2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)nc(OC(F)(F)F)c1F
InChIInChI=1S/C9H4F7NO3/c10-6-3(2-5(18)19)1-4(8(11,12)13)17-7(6)20-9(14,15)16/h1H,2H2,(H,18,19)
InChIKeySHBBUDGZLKRAML-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-[5-fluoro-4-(fluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134677319
ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134666262
2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134667673
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
2-[5-(chloromethyl)-6-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134665410
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133103853
2-[6-(chloromethyl)-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134676110
2-[6-(bromomethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118855097
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
4-(chloromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134676086
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134658943

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 134659573) is 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)nc(OC(F)(F)F)c1F.
What is the InChIKey of 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is SHBBUDGZLKRAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F7NO3/c10-6-3(2-5(18)19)1-4(8(11,12)13)17-7(6)20-9(14,15)16/h1H,2H2,(H,18,19).
What are the key properties of 2-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[3-fluoro-2-(trifluoromethoxy)-6-(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-[3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134659573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).