2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine

C11H13F3N2 — CID 169176847

IUPAC2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESCC1CCC(C(F)(F)F)N1c1ccccn1
InChIInChI=1S/C11H13F3N2/c1-8-5-6-9(11(12,13)14)16(8)10-4-2-3-7-15-10/h2-4,7-9H,5-6H2,1H3
InChIKeyLULODLXRHXIQHP-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.00
Rot. Bonds1

About 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine

2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 169176847) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine
PubChem CID169176847
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESCC1CCC(C(F)(F)F)N1c1ccccn1
InChIInChI=1S/C11H13F3N2/c1-8-5-6-9(11(12,13)14)16(8)10-4-2-3-7-15-10/h2-4,7-9H,5-6H2,1H3
InChIKeyLULODLXRHXIQHP-UHFFFAOYSA-N
XLogP3.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine (CID 169176847) is 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine is CC1CCC(C(F)(F)F)N1c1ccccn1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is LULODLXRHXIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-8-5-6-9(11(12,13)14)16(8)10-4-2-3-7-15-10/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 230.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 169176847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).