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

C9H5F6NO4 — CID 134678704

IUPAC2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(OC(F)(F)F)c(C(F)(F)F)c1O
InChIInChI=1S/C9H5F6NO4/c10-8(11,12)6-4(20-9(13,14)15)2-16-3(7(6)19)1-5(17)18/h2,19H,1H2,(H,17,18)
InChIKeyXIQZKXMXYLWOLI-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.33
Rot. Bonds3

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

2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134678704) has the molecular formula C9H5F6NO4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134678704
Molecular FormulaC9H5F6NO4
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(OC(F)(F)F)c(C(F)(F)F)c1O
InChIInChI=1S/C9H5F6NO4/c10-8(11,12)6-4(20-9(13,14)15)2-16-3(7(6)19)1-5(17)18/h2,19H,1H2,(H,17,18)
InChIKeyXIQZKXMXYLWOLI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134659981
2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812154
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134672699
2-[6-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679267
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
2-[6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134669973
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
2-[2-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118832558
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134678704) is 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(OC(F)(F)F)c(C(F)(F)F)c1O.
What is the InChIKey of 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is XIQZKXMXYLWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO4/c10-8(11,12)6-4(20-9(13,14)15)2-16-3(7(6)19)1-5(17)18/h2,19H,1H2,(H,17,18).
What are the key properties of 2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[3-hydroxy-5-(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-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134678704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).