1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid

C10H8F3NO3 — CID 154021337

IUPAC1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)COC2CC(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)2-8-6-1-7(9(15)16)14-3-5(6)4-17-8/h1,3,8H,2,4H2,(H,15,16)
InChIKeyRAKLUXPYMRBHMW-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.30
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid

1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid (PubChem CID 154021337) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid
PubChem CID154021337
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2c(cn1)COC2CC(F)(F)F
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)2-8-6-1-7(9(15)16)14-3-5(6)4-17-8/h1,3,8H,2,4H2,(H,15,16)
InChIKeyRAKLUXPYMRBHMW-UHFFFAOYSA-N
XLogP2.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118821925
5-amino-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 131116980
5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 150204771
(2R,6S)-8-amino-6-(difluoromethyl)-4-oxa-7,9,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),8,10,12-tetraene-13-carboxylic acid
CID 177206668
1-methyl-2,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylic acid
CID 84656375
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxylic acid
CID 155143574
5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
CID 123578184
2-(1,3-dioxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106785008
5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid
CID 90214950
4-amino-5-fluoropyridine-2-carboxylic acid
CID 121230968

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid (CID 154021337) is 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid is O=C(O)c1cc2c(cn1)COC2CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid?
The InChIKey is RAKLUXPYMRBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)2-8-6-1-7(9(15)16)14-3-5(6)4-17-8/h1,3,8H,2,4H2,(H,15,16).
What are the key properties of 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid?
1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid has a molecular weight of 247.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 154021337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).