6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid

C10H10F3NO4 — CID 79157623

IUPAC6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OCCOC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C10H10F3NO4/c1-6-2-3-7(8(14-6)9(15)16)17-4-5-18-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyYGGSEHHIRNBYSP-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.00
Rot. Bonds5

About 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid

6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid (PubChem CID 79157623) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid
PubChem CID79157623
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OCCOC(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C10H10F3NO4/c1-6-2-3-7(8(14-6)9(15)16)17-4-5-18-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyYGGSEHHIRNBYSP-UHFFFAOYSA-N
XLogP2.00
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-2-carboxylic acid
CID 112589611
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653
3-hexoxy-6-methylpyridine-2-carboxylic acid
CID 79156664
methyl 6-chloro-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172861319
6-methyl-3-(2-methylbutoxy)pyridine-2-carboxylic acid
CID 79158533
3-(cyclobutylmethoxy)-6-methylpyridine-2-carboxylic acid
CID 79157043
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-6-methylpyridine-2-carboxylic acid
CID 79156299

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid (CID 79157623) is 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid is Cc1ccc(OCCOC(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is YGGSEHHIRNBYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-6-2-3-7(8(14-6)9(15)16)17-4-5-18-10(11,12)13/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid?
6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79157623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).