2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid

C11H11F3N2O3 — CID 117096529

IUPAC2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)10(3-5-15-6-10)19-8-7(9(17)18)2-1-4-16-8/h1-2,4,15H,3,5-6H2,(H,17,18)
InChIKeyBXSGNGQMDFRNCE-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.45
Rot. Bonds3

About 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid

2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid (PubChem CID 117096529) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid
PubChem CID117096529
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)10(3-5-15-6-10)19-8-7(9(17)18)2-1-4-16-8/h1-2,4,15H,3,5-6H2,(H,17,18)
InChIKeyBXSGNGQMDFRNCE-UHFFFAOYSA-N
XLogP1.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
CID 117045771
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-(2-oxopyrrolidin-3-yl)oxypyridine-3-carboxylic acid
CID 117096496
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-[(S)-trifluoromethylsulfinyl]pyridine-3-carboxylic acid
CID 51921978
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
3-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 61395439
2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
CID 117096595
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-3-carboxamide
CID 63130698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid (CID 117096529) is 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid is O=C(O)c1cccnc1OC1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid?
The InChIKey is BXSGNGQMDFRNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)10(3-5-15-6-10)19-8-7(9(17)18)2-1-4-16-8/h1-2,4,15H,3,5-6H2,(H,17,18).
What are the key properties of 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid?
2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 117096529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).