3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

C11H12F3NO3 — CID 174704309

IUPAC3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCCCc1c(C(F)(F)F)cnc(C(=O)O)c1OC
InChIInChI=1S/C11H12F3NO3/c1-3-4-6-7(11(12,13)14)5-15-8(10(16)17)9(6)18-2/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyHPMFBTHVLAHRNV-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.76
Rot. Bonds4

About 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 174704309) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID174704309
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCCCc1c(C(F)(F)F)cnc(C(=O)O)c1OC
InChIInChI=1S/C11H12F3NO3/c1-3-4-6-7(11(12,13)14)5-15-8(10(16)17)9(6)18-2/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyHPMFBTHVLAHRNV-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-4-propyl-5-(trifluoromethyl)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

4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085
3-propyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 154005807
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118826032
methyl 4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133084575
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
2-methoxy-5-propyl-3-(trifluoromethyl)pyridine
CID 168920568
3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681720
4-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]butanoic acid
CID 117471835
5-cyano-2-methoxy-3-(trifluoromethyl)benzoic acid
CID 83668804
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923731

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 174704309) is 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid is CCCc1c(C(F)(F)F)cnc(C(=O)O)c1OC.
What is the InChIKey of 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is HPMFBTHVLAHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-3-4-6-7(11(12,13)14)5-15-8(10(16)17)9(6)18-2/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 174704309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).