2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine

C10H10ClF3N2 — CID 131335794

IUPAC2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc([C@H]2CCCN2)c(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c11-9-6(7-2-1-5-15-7)3-4-8(16-9)10(12,13)14/h3-4,7,15H,1-2,5H2/t7-/m1/s1
InChIKeyMPXLNUIBDABFQX-SSDOTTSWSA-N
MW250.65 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine

2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine (PubChem CID 131335794) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine
PubChem CID131335794
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc([C@H]2CCCN2)c(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c11-9-6(7-2-1-5-15-7)3-4-8(16-9)10(12,13)14/h3-4,7,15H,1-2,5H2/t7-/m1/s1
InChIKeyMPXLNUIBDABFQX-SSDOTTSWSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
CID 130612938
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
CID 130144513
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
CID 130721860
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine (CID 131335794) is 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine is FC(F)(F)c1ccc([C@H]2CCCN2)c(Cl)n1.
What is the InChIKey of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is MPXLNUIBDABFQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c11-9-6(7-2-1-5-15-7)3-4-8(16-9)10(12,13)14/h3-4,7,15H,1-2,5H2/t7-/m1/s1.
What are the key properties of 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine?
2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 250.65 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 131335794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).