1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone

Name: 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₄F₃N₃O — CID 175711179

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone

SMILESO=C(CC1CN(c2ccnc(C(F)(F)F)c2)C1)c1ccccn1

InChIInChI=1S/C16H14F3N3O/c17-16(18,19)15-8-12(4-6-21-15)22-9-11(10-22)7-14(23)13-3-1-2-5-20-13/h1-6,8,11H,7,9-10H2

InChIKeyVNVMYZQHAIGCMR-UHFFFAOYSA-N

MW321.30 g/mol

LogP3.20

Rot. Bonds4

About 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone

1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone (PubChem CID 175711179) has the molecular formula C₁₆H₁₄F₃N₃O and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone.

Molecular Properties

Compound Name	1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
PubChem CID	175711179
Molecular Formula	C₁₆H₁₄F₃N₃O
Molecular Weight	321.30 g/mol
Exact Mass	321.11
IUPAC Name	1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
SMILES	O=C(CC1CN(c2ccnc(C(F)(F)F)c2)C1)c1ccccn1
InChI	InChI=1S/C16H14F3N3O/c17-16(18,19)15-8-12(4-6-21-15)22-9-11(10-22)7-14(23)13-3-1-2-5-20-13/h1-6,8,11H,7,9-10H2
InChIKey	VNVMYZQHAIGCMR-UHFFFAOYSA-N
XLogP	3.20
TPSA	46.09 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.30
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone?

The IUPAC name of 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone (CID 175711179) is 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone.

What is the SMILES notation for 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone?

The canonical SMILES for 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone is O=C(CC1CN(c2ccnc(C(F)(F)F)c2)C1)c1ccccn1.

What is the InChIKey of 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone?

The InChIKey is VNVMYZQHAIGCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)15-8-12(4-6-21-15)22-9-11(10-22)7-14(23)13-3-1-2-5-20-13/h1-6,8,11H,7,9-10H2.

What are the key properties of 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone?

1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone has a molecular weight of 321.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-pyridin-2-yl-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone is sourced from PubChem (CID 175711179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 175711179 — identifiers, structure, computed properties (public domain)

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