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

C9H5F6NO4 — CID 134659981

IUPAC2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(O)c(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H5F6NO4/c10-8(11,12)6-4(17)2-16-3(1-5(18)19)7(6)20-9(13,14)15/h2,17H,1H2,(H,18,19)
InChIKeyBOPXFYKTUADKRU-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.33
Rot. Bonds3

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

2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134659981) has the molecular formula C9H5F6NO4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134659981
Molecular FormulaC9H5F6NO4
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(O)c(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H5F6NO4/c10-8(11,12)6-4(17)2-16-3(1-5(18)19)7(6)20-9(13,14)15/h2,17H,1H2,(H,18,19)
InChIKeyBOPXFYKTUADKRU-UHFFFAOYSA-N
XLogP2.33
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118848779
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
methyl 2-[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134682906
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134659981) is 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(O)c(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is BOPXFYKTUADKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4/c10-8(11,12)6-4(17)2-16-3(1-5(18)19)7(6)20-9(13,14)15/h2,17H,1H2,(H,18,19).
What are the key properties of 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 305.13 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134659981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).