5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine

C10H11F3N2O — CID 169498534

IUPAC5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(C2CCNC2)cn1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)16-9-2-1-7(6-15-9)8-3-4-14-5-8/h1-2,6,8,14H,3-5H2
InChIKeyBTEXPCFKBDGDKO-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.06
Rot. Bonds2

About 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine

5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine (PubChem CID 169498534) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine
PubChem CID169498534
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(C2CCNC2)cn1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)16-9-2-1-7(6-15-9)8-3-4-14-5-8/h1-2,6,8,14H,3-5H2
InChIKeyBTEXPCFKBDGDKO-UHFFFAOYSA-N
XLogP2.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
5-cyclopropyl-2-piperidin-4-yloxypyridine
CID 126506937
3-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine
CID 71250619
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256
4-(4-pyrrolidin-3-ylphenoxy)aniline
CID 116996705
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
CID 116992340
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
3-pyrrolidin-3-ylpyridine
CID 3613651
5-pyrrolidin-3-ylpyrimidine
CID 66996535

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine (CID 169498534) is 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine is FC(F)(F)Oc1ccc(C2CCNC2)cn1.
What is the InChIKey of 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine?
The InChIKey is BTEXPCFKBDGDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)16-9-2-1-7(6-15-9)8-3-4-14-5-8/h1-2,6,8,14H,3-5H2.
What are the key properties of 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine?
5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine has a molecular weight of 232.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 169498534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).