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

C14H15ClF3N3O — CID 110208777

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1
InChIInChI=1S/C14H15ClF3N3O/c15-11-5-10(14(16,17)18)6-19-12(11)21-7-9(8-21)13(22)20-3-1-2-4-20/h5-6,9H,1-4,7-8H2
InChIKeyIDLHAQUBWSADAS-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.81
Rot. Bonds2

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

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110208777) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID110208777
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1
InChIInChI=1S/C14H15ClF3N3O/c15-11-5-10(14(16,17)18)6-19-12(11)21-7-9(8-21)13(22)20-3-1-2-4-20/h5-6,9H,1-4,7-8H2
InChIKeyIDLHAQUBWSADAS-UHFFFAOYSA-N
XLogP2.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.81
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]azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone (CID 110208777) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IDLHAQUBWSADAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c15-11-5-10(14(16,17)18)6-19-12(11)21-7-9(8-21)13(22)20-3-1-2-4-20/h5-6,9H,1-4,7-8H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.74 g/mol, XLogP of 2.81, 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]azetidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110208777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).