trifluoromethyl pyridazine-3-carboxylate

C6H3F3N2O2 — CID 144580848

IUPACtrifluoromethyl pyridazine-3-carboxylate
SMILESO=C(OC(F)(F)F)c1cccnn1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)13-5(12)4-2-1-3-10-11-4/h1-3H
InChIKeyOZUYUVNLJUWPRT-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.15
Rot. Bonds1

About trifluoromethyl pyridazine-3-carboxylate

trifluoromethyl pyridazine-3-carboxylate (PubChem CID 144580848) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is trifluoromethyl pyridazine-3-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl pyridazine-3-carboxylate
PubChem CID144580848
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Nametrifluoromethyl pyridazine-3-carboxylate
SMILESO=C(OC(F)(F)F)c1cccnn1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)13-5(12)4-2-1-3-10-11-4/h1-3H
InChIKeyOZUYUVNLJUWPRT-UHFFFAOYSA-N
XLogP1.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridazine-3-carboxylic acid
CID 269369
5-(Trifluoromethyl)pyridazine-3-carboxylic acid
CID 92042957
Methyl pyridazine-3-carboxylate
CID 13011730
Methyl 6-fluoropyridazine-3-carboxylate
CID 12379810
Ethyl 6-(trifluoromethyl)pyridazine-3-carboxylate
CID 52987966
Methyl 5-aminopyridazine-3-carboxylate
CID 131477264
Methyl 5-chloropyridazine-3-carboxylate
CID 131699995
Ethyl pyridazine-3-carboxylate
CID 14452007
Methyl 5-bromopyridazine-3-carboxylate
CID 119024285
Lithium(1+) 4-(trifluoromethyl)pyridazine-3-carboxylate
CID 165703151
4-Fluoropyridazine-3-carboxylic acid
CID 118989539
4-(Trifluoromethyl)pyridazine-3-carboxylic acid
CID 130119691

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl pyridazine-3-carboxylate?
The IUPAC name of trifluoromethyl pyridazine-3-carboxylate (CID 144580848) is trifluoromethyl pyridazine-3-carboxylate.
What is the SMILES notation for trifluoromethyl pyridazine-3-carboxylate?
The canonical SMILES for trifluoromethyl pyridazine-3-carboxylate is O=C(OC(F)(F)F)c1cccnn1.
What is the InChIKey of trifluoromethyl pyridazine-3-carboxylate?
The InChIKey is OZUYUVNLJUWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)13-5(12)4-2-1-3-10-11-4/h1-3H.
What are the key properties of trifluoromethyl pyridazine-3-carboxylate?
trifluoromethyl pyridazine-3-carboxylate has a molecular weight of 192.10 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl pyridazine-3-carboxylate is sourced from PubChem (CID 144580848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).