3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine

C12H8ClF3N2O — CID 175904375

IUPAC3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine
SMILES[2H]c1cc(OC(F)(F)F)ccc1-c1cc(C)c(Cl)nn1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(17-18-11(7)13)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3/i2D
InChIKeyAMRXGEVHTRDJHA-VMNATFBRSA-N
MW289.66 g/mol
LogP4.00
Rot. Bonds2

About 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine

3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine (PubChem CID 175904375) has the molecular formula C12H8ClF3N2O and a molecular weight of 289.66 g/mol. Its IUPAC name is 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine
PubChem CID175904375
Molecular FormulaC12H8ClF3N2O
Molecular Weight289.66 g/mol
Exact Mass289.03
IUPAC Name3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine
SMILES[2H]c1cc(OC(F)(F)F)ccc1-c1cc(C)c(Cl)nn1
InChIInChI=1S/C12H8ClF3N2O/c1-7-6-10(17-18-11(7)13)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3/i2D
InChIKeyAMRXGEVHTRDJHA-VMNATFBRSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 164895087
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
3-chloro-4-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 130223137
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine?
The IUPAC name of 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine (CID 175904375) is 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine.
What is the SMILES notation for 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine?
The canonical SMILES for 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine is [2H]c1cc(OC(F)(F)F)ccc1-c1cc(C)c(Cl)nn1.
What is the InChIKey of 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine?
The InChIKey is AMRXGEVHTRDJHA-VMNATFBRSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-7-6-10(17-18-11(7)13)8-2-4-9(5-3-8)19-12(14,15)16/h2-6H,1H3/i2D.
What are the key properties of 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine?
3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine has a molecular weight of 289.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine is sourced from PubChem (CID 175904375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).