2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride

C10H12ClF3N2 — CID 138635981

IUPAC2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CCNC2)n1
InChIInChI=1S/C10H11F3N2.ClH/c11-10(12,13)9-3-1-2-8(15-9)7-4-5-14-6-7;/h1-3,7,14H,4-6H2;1H
InChIKeyFGRJVECRMWUTEW-UHFFFAOYSA-N
MW252.67 g/mol
LogP2.60
Rot. Bonds1

About 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride

2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 138635981) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride
PubChem CID138635981
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CCNC2)n1
InChIInChI=1S/C10H11F3N2.ClH/c11-10(12,13)9-3-1-2-8(15-9)7-4-5-14-6-7;/h1-3,7,14H,4-6H2;1H
InChIKeyFGRJVECRMWUTEW-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride (CID 138635981) is 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride is Cl.FC(F)(F)c1cccc(C2CCNC2)n1.
What is the InChIKey of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is FGRJVECRMWUTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.ClH/c11-10(12,13)9-3-1-2-8(15-9)7-4-5-14-6-7;/h1-3,7,14H,4-6H2;1H.
What are the key properties of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride?
2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 252.67 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 138635981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).