NMIWZKLDGUMDTB-UHFFFAOYSA-N

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

C₉H₈F₆N₂O₃ — CID 159821988

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

IUPAC2-ethyl-4-(trifluoromethyl)pyridazin-3-one;2,2,2-trifluoroacetic acid

SMILESCCn1nccc(C(F)(F)F)c1=O.O=C(O)C(F)(F)F

InChIInChI=1S/C7H7F3N2O.C2HF3O2/c1-2-12-6(13)5(3-4-11-12)7(8,9)10;3-2(4,5)1(6)7/h3-4H,2H2,1H3;(H,6,7)

InChIKeyNMIWZKLDGUMDTB-UHFFFAOYSA-N

MW306.16 g/mol

LogP1.92

Rot. Bonds1

About NMIWZKLDGUMDTB-UHFFFAOYSA-N

NMIWZKLDGUMDTB-UHFFFAOYSA-N (PubChem CID 159821988) has the molecular formula C₉H₈F₆N₂O₃ and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-ethyl-4-(trifluoromethyl)pyridazin-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name	NMIWZKLDGUMDTB-UHFFFAOYSA-N
PubChem CID	159821988
Molecular Formula	C₉H₈F₆N₂O₃
Molecular Weight	306.16 g/mol
Exact Mass	306.04
IUPAC Name	2-ethyl-4-(trifluoromethyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
SMILES	CCn1nccc(C(F)(F)F)c1=O.O=C(O)C(F)(F)F
InChI	InChI=1S/C7H7F3N2O.C2HF3O2/c1-2-12-6(13)5(3-4-11-12)7(8,9)10;3-2(4,5)1(6)7/h3-4H,2H2,1H3;(H,6,7)
InChIKey	NMIWZKLDGUMDTB-UHFFFAOYSA-N
XLogP	1.92
TPSA	72.19 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.16
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of NMIWZKLDGUMDTB-UHFFFAOYSA-N (CID 159821988) is 2-ethyl-4-(trifluoromethyl)pyridazin-3-one;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for NMIWZKLDGUMDTB-UHFFFAOYSA-N is CCn1nccc(C(F)(F)F)c1=O.O=C(O)C(F)(F)F.

What is the InChIKey of NMIWZKLDGUMDTB-UHFFFAOYSA-N?

The InChIKey is NMIWZKLDGUMDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.C2HF3O2/c1-2-12-6(13)5(3-4-11-12)7(8,9)10;3-2(4,5)1(6)7/h3-4H,2H2,1H3;(H,6,7).

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

NMIWZKLDGUMDTB-UHFFFAOYSA-N has a molecular weight of 306.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for NMIWZKLDGUMDTB-UHFFFAOYSA-N is sourced from PubChem (CID 159821988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 159821988 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.