3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid

C9H8F3NO4 — CID 134665085

IUPAC3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)ncc(C)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO4/c1-4-3-13-5(8(14)15)7(16-2)6(4)17-9(10,11)12/h3H,1-2H3,(H,14,15)
InChIKeyXMBCCYYKJAHCOO-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.00
Rot. Bonds3

About 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid

3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134665085) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134665085
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)ncc(C)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO4/c1-4-3-13-5(8(14)15)7(16-2)6(4)17-9(10,11)12/h3H,1-2H3,(H,14,15)
InChIKeyXMBCCYYKJAHCOO-UHFFFAOYSA-N
XLogP2.00
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164
3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681720
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 142637848
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
5-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134667317
3-methoxy-4-propyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 174704309
5-(chloromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134671813
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134665255

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134665085) is 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid is COc1c(C(=O)O)ncc(C)c1OC(F)(F)F.
What is the InChIKey of 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is XMBCCYYKJAHCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c1-4-3-13-5(8(14)15)7(16-2)6(4)17-9(10,11)12/h3H,1-2H3,(H,14,15).
What are the key properties of 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 251.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134665085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).