2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile

C14H11F3N4O3 — CID 154763959

IUPAC2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile
SMILESCOc1c(C#N)ccc(=O)n1Cc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C14H11F3N4O3/c1-23-13-9(6-18)2-5-12(22)21(13)7-10-3-4-11(20-19-10)24-8-14(15,16)17/h2-5H,7-8H2,1H3
InChIKeyROMSGXGMMDXFDR-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.51
Rot. Bonds5

About 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile

2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile (PubChem CID 154763959) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile
PubChem CID154763959
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC Name2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile
SMILESCOc1c(C#N)ccc(=O)n1Cc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C14H11F3N4O3/c1-23-13-9(6-18)2-5-12(22)21(13)7-10-3-4-11(20-19-10)24-8-14(15,16)17/h2-5H,7-8H2,1H3
InChIKeyROMSGXGMMDXFDR-UHFFFAOYSA-N
XLogP1.51
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-methoxy-6-oxo-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonitrile
CID 122142284
1-ethyl-4-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]quinoxaline-2,3-dione
CID 126819630
3-methyl-5-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166241492
4-chloro-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]-3H-2,1-benzothiazole 2,2-dioxide
CID 132972722
6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
CID 112693131
ethane;N-methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-amine
CID 167506839
1-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyrrole-2-carboxamide
CID 127267523
1-pyrimidin-2-ylethyl-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]carbamic acid
CID 166709953
2-(methoxymethyl)-4-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
CID 122142077
methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
CID 138584566
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
3-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 174687460

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile (CID 154763959) is 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile is COc1c(C#N)ccc(=O)n1Cc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is ROMSGXGMMDXFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c1-23-13-9(6-18)2-5-12(22)21(13)7-10-3-4-11(20-19-10)24-8-14(15,16)17/h2-5H,7-8H2,1H3.
What are the key properties of 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile?
2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 340.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-oxo-1-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 154763959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).