3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid

C11H12F3NO3 — CID 20977743

IUPAC3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OC(F)C(F)CCCF
InChIInChI=1S/C11H12F3NO3/c12-5-1-3-7(13)10(14)18-8-4-2-6-15-9(8)11(16)17/h2,4,6-7,10H,1,3,5H2,(H,16,17)
InChIKeyJBPRDCAESWOEPI-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.54
Rot. Bonds7

About 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid

3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid (PubChem CID 20977743) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid
PubChem CID20977743
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OC(F)C(F)CCCF
InChIInChI=1S/C11H12F3NO3/c12-5-1-3-7(13)10(14)18-8-4-2-6-15-9(8)11(16)17/h2,4,6-7,10H,1,3,5H2,(H,16,17)
InChIKeyJBPRDCAESWOEPI-UHFFFAOYSA-N
XLogP2.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic 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

3-(1,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 175397077
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
3-cyanatopyridine-2-carboxylic acid
CID 130739739
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
3-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 61380391
3-[2-amino-3-(2-hydroxyphenyl)propanoyl]oxypyridine-2-carboxylic acid
CID 140701311
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
fluoro 3-(2-aminoacetyl)oxypyridine-2-carboxylate
CID 175443859
3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
CID 44820468

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid (CID 20977743) is 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OC(F)C(F)CCCF.
What is the InChIKey of 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid?
The InChIKey is JBPRDCAESWOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-5-1-3-7(13)10(14)18-8-4-2-6-15-9(8)11(16)17/h2,4,6-7,10H,1,3,5H2,(H,16,17).
What are the key properties of 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid?
3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,5-trifluoropentoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 20977743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).