KYAJCCFEALYWNN-UHFFFAOYSA-N

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

C₁₃H₉F₃N₄O — CID 154047917

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

IUPAC6-(2-methoxypyrimidin-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

SMILESCOc1ncc(-c2cc(C(F)(F)F)c3nccn3c2)cn1

InChIInChI=1S/C13H9F3N4O/c1-21-12-18-5-9(6-19-12)8-4-10(13(14,15)16)11-17-2-3-20(11)7-8/h2-7H,1H3

InChIKeyKYAJCCFEALYWNN-UHFFFAOYSA-N

MW294.24 g/mol

LogP2.82

Rot. Bonds2

About KYAJCCFEALYWNN-UHFFFAOYSA-N

KYAJCCFEALYWNN-UHFFFAOYSA-N (PubChem CID 154047917) has the molecular formula C₁₃H₉F₃N₄O and a molecular weight of 294.24 g/mol. Its IUPAC name is 6-(2-methoxypyrimidin-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name	KYAJCCFEALYWNN-UHFFFAOYSA-N
PubChem CID	154047917
Molecular Formula	C₁₃H₉F₃N₄O
Molecular Weight	294.24 g/mol
Exact Mass	294.07
IUPAC Name	6-(2-methoxypyrimidin-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILES	COc1ncc(-c2cc(C(F)(F)F)c3nccn3c2)cn1
InChI	InChI=1S/C13H9F3N4O/c1-21-12-18-5-9(6-19-12)8-4-10(13(14,15)16)11-17-2-3-20(11)7-8/h2-7H,1H3
InChIKey	KYAJCCFEALYWNN-UHFFFAOYSA-N
XLogP	2.82
TPSA	52.31 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.24
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of KYAJCCFEALYWNN-UHFFFAOYSA-N (CID 154047917) is 6-(2-methoxypyrimidin-5-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

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

The canonical SMILES for KYAJCCFEALYWNN-UHFFFAOYSA-N is COc1ncc(-c2cc(C(F)(F)F)c3nccn3c2)cn1.

What is the InChIKey of KYAJCCFEALYWNN-UHFFFAOYSA-N?

The InChIKey is KYAJCCFEALYWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c1-21-12-18-5-9(6-19-12)8-4-10(13(14,15)16)11-17-2-3-20(11)7-8/h2-7H,1H3.

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

KYAJCCFEALYWNN-UHFFFAOYSA-N has a molecular weight of 294.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for KYAJCCFEALYWNN-UHFFFAOYSA-N is sourced from PubChem (CID 154047917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154047917 — identifiers, structure, computed properties (public domain)

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