1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine

C10H11ClF3N3 — CID 62067894

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H11ClF3N3/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17/h3-4,7H,1-2,5,15H2
InChIKeyCUPFRJFRESZDCT-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.29
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 62067894) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID62067894
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H11ClF3N3/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17/h3-4,7H,1-2,5,15H2
InChIKeyCUPFRJFRESZDCT-UHFFFAOYSA-N
XLogP2.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine (CID 62067894) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine is NC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is CUPFRJFRESZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17/h3-4,7H,1-2,5,15H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 265.67 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 62067894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).