HDTKXNROFMLNGS-UHFFFAOYSA-N

Name: HDTKXNROFMLNGS-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₂F₃N₃O — CID 126729680

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

IUPAC4-dibenzofuran-3-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

SMILESFC(F)(F)c1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)ccn2)n[nH]1

InChIInChI=1S/C21H12F3N3O/c22-21(23,24)20-11-17(26-27-20)16-9-13(7-8-25-16)12-5-6-15-14-3-1-2-4-18(14)28-19(15)10-12/h1-11H,(H,26,27)

InChIKeyHDTKXNROFMLNGS-UHFFFAOYSA-N

MW379.34 g/mol

LogP6.06

Rot. Bonds2

About HDTKXNROFMLNGS-UHFFFAOYSA-N

HDTKXNROFMLNGS-UHFFFAOYSA-N (PubChem CID 126729680) has the molecular formula C₂₁H₁₂F₃N₃O and a molecular weight of 379.34 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name	HDTKXNROFMLNGS-UHFFFAOYSA-N
PubChem CID	126729680
Molecular Formula	C₂₁H₁₂F₃N₃O
Molecular Weight	379.34 g/mol
Exact Mass	379.09
IUPAC Name	4-dibenzofuran-3-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILES	FC(F)(F)c1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)ccn2)n[nH]1
InChI	InChI=1S/C21H12F3N3O/c22-21(23,24)20-11-17(26-27-20)16-9-13(7-8-25-16)12-5-6-15-14-3-1-2-4-18(14)28-19(15)10-12/h1-11H,(H,26,27)
InChIKey	HDTKXNROFMLNGS-UHFFFAOYSA-N
XLogP	6.06
TPSA	54.71 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.34
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of HDTKXNROFMLNGS-UHFFFAOYSA-N?

The IUPAC name of HDTKXNROFMLNGS-UHFFFAOYSA-N (CID 126729680) is 4-dibenzofuran-3-yl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

What is the SMILES notation for HDTKXNROFMLNGS-UHFFFAOYSA-N?

The canonical SMILES for HDTKXNROFMLNGS-UHFFFAOYSA-N is FC(F)(F)c1cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)ccn2)n[nH]1.

What is the InChIKey of HDTKXNROFMLNGS-UHFFFAOYSA-N?

The InChIKey is HDTKXNROFMLNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O/c22-21(23,24)20-11-17(26-27-20)16-9-13(7-8-25-16)12-5-6-15-14-3-1-2-4-18(14)28-19(15)10-12/h1-11H,(H,26,27).

What are the key properties of HDTKXNROFMLNGS-UHFFFAOYSA-N?

HDTKXNROFMLNGS-UHFFFAOYSA-N has a molecular weight of 379.34 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for HDTKXNROFMLNGS-UHFFFAOYSA-N is sourced from PubChem (CID 126729680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 126729680 — identifiers, structure, computed properties (public domain)

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