5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid

C14H14F4N2O3 — CID 162444948

IUPAC5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CC3C(COCC(F)(F)F)C3C2)c(F)c1
InChIInChI=1S/C14H14F4N2O3/c15-11-1-7(13(21)22)2-19-12(11)20-3-8-9(4-20)10(8)5-23-6-14(16,17)18/h1-2,8-10H,3-6H2,(H,21,22)
InChIKeySVHVHLRHYYUWEC-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.18
Rot. Bonds5

About 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid

5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid (PubChem CID 162444948) 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-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid
PubChem CID162444948
Molecular FormulaC14H14F4N2O3
Molecular Weight334.27 g/mol
Exact Mass334.09
IUPAC Name5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CC3C(COCC(F)(F)F)C3C2)c(F)c1
InChIInChI=1S/C14H14F4N2O3/c15-11-1-7(13(21)22)2-19-12(11)20-3-8-9(4-20)10(8)5-23-6-14(16,17)18/h1-2,8-10H,3-6H2,(H,21,22)
InChIKeySVHVHLRHYYUWEC-UHFFFAOYSA-N
XLogP2.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-[Methyl(propyl)amino]pyridine-3-carboxylic acid
CID 43271548
6-Morpholinonicotinic Acid
CID 2776460
2-(Morpholin-4-yl)pyridine-3-carboxylic acid
CID 2776568
2-(Piperidin-1-yl)pyridine-3-carboxylic acid
CID 2794673
6-(Diethylamino)pyridine-3-carboxylic acid
CID 16772244
2-(4-Methylpiperazin-1-yl)nicotinic acid
CID 217029
2-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 63653570
2-(4-Methyl-1-piperidinyl)nicotinic acid
CID 646385
6-(Pyrrolidin-1-yl)nicotinic acid
CID 738055
6-(4-Methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 16771416
5-Bromo-2-morpholinonicotinic acid
CID 25918916
6-[Methyl(2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 43272352

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid (CID 162444948) is 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CC3C(COCC(F)(F)F)C3C2)c(F)c1.
What is the InChIKey of 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid?
The InChIKey is SVHVHLRHYYUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O3/c15-11-1-7(13(21)22)2-19-12(11)20-3-8-9(4-20)10(8)5-23-6-14(16,17)18/h1-2,8-10H,3-6H2,(H,21,22).
What are the key properties of 5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid?
5-fluoro-6-[6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid has a molecular weight of 334.27 g/mol, XLogP of 2.18, 5 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-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 162444948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).