5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid

C12H11F4NO4 — CID 90214950

IUPAC5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid
SMILESC[C@H](Oc1cc(C(=O)O)ncc1C1(F)COC1)C(F)(F)F
InChIInChI=1S/C12H11F4NO4/c1-6(12(14,15)16)21-9-2-8(10(18)19)17-3-7(9)11(13)4-20-5-11/h2-3,6H,4-5H2,1H3,(H,18,19)/t6-/m0/s1
InChIKeyBFBRQVJVSCJYKQ-LURJTMIESA-N
MW309.22 g/mol
LogP2.30
Rot. Bonds4

About 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid

5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid (PubChem CID 90214950) has the molecular formula C12H11F4NO4 and a molecular weight of 309.22 g/mol. Its IUPAC name is 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid
PubChem CID90214950
Molecular FormulaC12H11F4NO4
Molecular Weight309.22 g/mol
Exact Mass309.06
IUPAC Name5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid
SMILESC[C@H](Oc1cc(C(=O)O)ncc1C1(F)COC1)C(F)(F)F
InChIInChI=1S/C12H11F4NO4/c1-6(12(14,15)16)21-9-2-8(10(18)19)17-3-7(9)11(13)4-20-5-11/h2-3,6H,4-5H2,1H3,(H,18,19)/t6-/m0/s1
InChIKeyBFBRQVJVSCJYKQ-LURJTMIESA-N
XLogP2.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204287
N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90203420
N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90203421
4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
CID 66277591
5-(1-fluorocyclobutyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204321
4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118821925
5-iodo-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 68851594
5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90203246
2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoic acid
CID 69287496
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid
CID 80518417
N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90214975

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid?
The IUPAC name of 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid (CID 90214950) is 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid is C[C@H](Oc1cc(C(=O)O)ncc1C1(F)COC1)C(F)(F)F.
What is the InChIKey of 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid?
The InChIKey is BFBRQVJVSCJYKQ-LURJTMIESA-N. The full InChI is InChI=1S/C12H11F4NO4/c1-6(12(14,15)16)21-9-2-8(10(18)19)17-3-7(9)11(13)4-20-5-11/h2-3,6H,4-5H2,1H3,(H,18,19)/t6-/m0/s1.
What are the key properties of 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid?
5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid has a molecular weight of 309.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 90214950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).