3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine

C11H12ClF3N2O — CID 94406478

IUPAC3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OC[C@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-17-10(9)18-6-8-2-1-3-16-8/h4-5,8,16H,1-3,6H2/t8-/m1/s1
InChIKeyQVANNNWCIOVRCP-MRVPVSSYSA-N
MW280.68 g/mol
LogP2.88
Rot. Bonds3

About 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine

3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 94406478) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
PubChem CID94406478
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OC[C@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-17-10(9)18-6-8-2-1-3-16-8/h4-5,8,16H,1-3,6H2/t8-/m1/s1
InChIKeyQVANNNWCIOVRCP-MRVPVSSYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine
CID 105370446
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine (CID 94406478) is 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(OC[C@H]2CCCN2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is QVANNNWCIOVRCP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-17-10(9)18-6-8-2-1-3-16-8/h4-5,8,16H,1-3,6H2/t8-/m1/s1.
What are the key properties of 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 280.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 94406478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).