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

C15H17ClF3N3O — CID 110208974

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1CCCC1
InChIInChI=1S/C15H17ClF3N3O/c16-11-8-10(15(17,18)19)9-20-13(11)22-7-3-4-12(22)14(23)21-5-1-2-6-21/h8-9,12H,1-7H2
InChIKeySYZXMMINPFGXOJ-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.35
Rot. Bonds2

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

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110208974) has the molecular formula C15H17ClF3N3O and a molecular weight of 347.77 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID110208974
Molecular FormulaC15H17ClF3N3O
Molecular Weight347.77 g/mol
Exact Mass347.10
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1CCCC1
InChIInChI=1S/C15H17ClF3N3O/c16-11-8-10(15(17,18)19)9-20-13(11)22-7-3-4-12(22)14(23)21-5-1-2-6-21/h8-9,12H,1-7H2
InChIKeySYZXMMINPFGXOJ-UHFFFAOYSA-N
XLogP3.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
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-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 110208974) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN1c1ncc(C(F)(F)F)cc1Cl)N1CCCC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SYZXMMINPFGXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O/c16-11-8-10(15(17,18)19)9-20-13(11)22-7-3-4-12(22)14(23)21-5-1-2-6-21/h8-9,12H,1-7H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 347.77 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 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-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110208974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).