ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate

C14H15F3N2O2 — CID 129078747

IUPACethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC3CC3C2)nc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-2-21-13(20)10-3-4-11(18-12(10)14(15,16)17)19-6-8-5-9(8)7-19/h3-4,8-9H,2,5-7H2,1H3
InChIKeyJUHRVUPXAVOCJV-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.73
Rot. Bonds3

About ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 129078747) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID129078747
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Nameethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CC3CC3C2)nc1C(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-2-21-13(20)10-3-4-11(18-12(10)14(15,16)17)19-6-8-5-9(8)7-19/h3-4,8-9H,2,5-7H2,1H3
InChIKeyJUHRVUPXAVOCJV-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-bromopyrazole-4-carboxylate
CID 146371954
ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(4-ethoxycarbonylimidazol-1-yl)methyl]pyridine-2-carboxylate
CID 156826242
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methoxypyrazole-4-carboxylic acid;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-methoxypyrazole-4-carboxylate
CID 158489757
ethyl 2-(2,2-dimethylcyclopropyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 107925584
3-[5-(methoxymethyl)-6-(trifluoromethoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane;methyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 158379400
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826518
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-1-ethylpyrazole-5-carboxylate
CID 156826222
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]imidazole-4-carboxylate
CID 156825895

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 129078747) is ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CC3CC3C2)nc1C(F)(F)F.
What is the InChIKey of ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is JUHRVUPXAVOCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-2-21-13(20)10-3-4-11(18-12(10)14(15,16)17)19-6-8-5-9(8)7-19/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 300.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 129078747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).