6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid

C9H8F3NO3 — CID 106903249

IUPAC6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)5-16-4-6-2-1-3-7(13-6)8(14)15/h1-3H,4-5H2,(H,14,15)
InChIKeyKMAZKVJYUWCZQQ-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.86
Rot. Bonds4

About 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid

6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid (PubChem CID 106903249) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
PubChem CID106903249
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)5-16-4-6-2-1-3-7(13-6)8(14)15/h1-3H,4-5H2,(H,14,15)
InChIKeyKMAZKVJYUWCZQQ-UHFFFAOYSA-N
XLogP1.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
CID 106903375
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
2-tert-butyl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709426
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
2-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)pyridine
CID 20709403
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
CID 114218204
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid (CID 106903249) is 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(COCC(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is KMAZKVJYUWCZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)5-16-4-6-2-1-3-7(13-6)8(14)15/h1-3H,4-5H2,(H,14,15).
What are the key properties of 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid?
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106903249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).