5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid

C14H14F4N2O3 — CID 162445072

IUPAC5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CC3(CC(OCC(F)(F)F)C3)C2)c(F)c1
InChIInChI=1S/C14H14F4N2O3/c15-10-1-8(12(21)22)4-19-11(10)20-5-13(6-20)2-9(3-13)23-7-14(16,17)18/h1,4,9H,2-3,5-7H2,(H,21,22)
InChIKeyPSSVFDXLLIIXFF-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.47
Rot. Bonds4

About 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid

5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid (PubChem CID 162445072) has the molecular formula C14H14F4N2O3 and a molecular weight of 334.27 g/mol. Its IUPAC name is 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid
PubChem CID162445072
Molecular FormulaC14H14F4N2O3
Molecular Weight334.27 g/mol
Exact Mass334.09
IUPAC Name5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CC3(CC(OCC(F)(F)F)C3)C2)c(F)c1
InChIInChI=1S/C14H14F4N2O3/c15-10-1-8(12(21)22)4-19-11(10)20-5-13(6-20)2-9(3-13)23-7-14(16,17)18/h1,4,9H,2-3,5-7H2,(H,21,22)
InChIKeyPSSVFDXLLIIXFF-UHFFFAOYSA-N
XLogP2.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxamide
CID 162444921
6-(2-ethoxyspiro[3.3]heptan-6-yl)-5-fluoropyridine-3-carboxylic acid
CID 170068305
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
5-fluoro-6-propylpyridine-3-carboxylic acid
CID 145419429
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
6-[(3aR)-5-[3-amino-2-(cyclopropanecarbonyl)-3-[6-methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]prop-2-enoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-5-fluoropyridine-3-carboxylic acid
CID 134400222
methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 163312541
8-(5-chloro-3-fluoro-2-pyridinyl)-2-(furan-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 170506531
6-(4-methoxypiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438441
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
CID 82691325
5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 55009351

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid (CID 162445072) is 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CC3(CC(OCC(F)(F)F)C3)C2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid?
The InChIKey is PSSVFDXLLIIXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O3/c15-10-1-8(12(21)22)4-19-11(10)20-5-13(6-20)2-9(3-13)23-7-14(16,17)18/h1,4,9H,2-3,5-7H2,(H,21,22).
What are the key properties of 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid?
5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid has a molecular weight of 334.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 162445072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).