2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine

C10H10ClF3N2 — CID 130144513

IUPAC2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)c(C2CCCN2)c1
InChIInChI=1S/C10H10ClF3N2/c11-9-7(8-2-1-3-15-8)4-6(5-16-9)10(12,13)14/h4-5,8,15H,1-3H2
InChIKeyQAIKSEFBHPFXAZ-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine

2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 130144513) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
PubChem CID130144513
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Cl)c(C2CCCN2)c1
InChIInChI=1S/C10H10ClF3N2/c11-9-7(8-2-1-3-15-8)4-6(5-16-9)10(12,13)14/h4-5,8,15H,1-3H2
InChIKeyQAIKSEFBHPFXAZ-UHFFFAOYSA-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

(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine
CID 131335794
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
3-[(2S)-piperidin-2-yl]-5-(trifluoromethyl)pyridine
CID 131397807
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine (CID 130144513) is 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Cl)c(C2CCCN2)c1.
What is the InChIKey of 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is QAIKSEFBHPFXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c11-9-7(8-2-1-3-15-8)4-6(5-16-9)10(12,13)14/h4-5,8,15H,1-3H2.
What are the key properties of 2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine?
2-chloro-3-pyrrolidin-2-yl-5-(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-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130144513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).