6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine

C8H6ClF3N2O — CID 164537355

IUPAC6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
SMILESC=C(c1nnc(Cl)cc1OC)C(F)(F)F
InChIInChI=1S/C8H6ClF3N2O/c1-4(8(10,11)12)7-5(15-2)3-6(9)13-14-7/h3H,1H2,2H3
InChIKeyKPRYCXJFTVWKRC-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.71
Rot. Bonds2

About 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine

6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine (PubChem CID 164537355) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine.

Molecular Properties

Compound Name6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
PubChem CID164537355
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC Name6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
SMILESC=C(c1nnc(Cl)cc1OC)C(F)(F)F
InChIInChI=1S/C8H6ClF3N2O/c1-4(8(10,11)12)7-5(15-2)3-6(9)13-14-7/h3H,1H2,2H3
InChIKeyKPRYCXJFTVWKRC-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-4-methoxy-3-phenylpyridazine
CID 14357908
3-Cyclohepta-1,4,6-trien-1-yl-6-(difluoromethyl)-4-methoxypyridazine
CID 139386377
4-Methoxy-3-methyl-6-(trifluoromethyl)pyridazine
CID 139386384
3-Chloro-4-methoxy-6-(trifluoromethyl)pyridazine
CID 155242892
2-(6-Chloro-4-methoxypyridazin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 164537199
6-Chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine
CID 164537326
6-Chloro-3-(4-fluorophenyl)-4-methoxypyridazine
CID 165373268
6-Chloro-3-(3,3-difluorocyclobutyl)-4-methoxypyridazine
CID 172259687
6-Chloro-3-cyclopropyl-4-(2,2-difluoroethoxy)pyridazine
CID 172259794
5-Chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
CID 175745246
6-Chloro-4-ethoxy-3-(trifluoromethyl)pyridazine
CID 154725896
6-Chloro-3-chloromethyl-4-methoxypyridazine
CID 21919294

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
The IUPAC name of 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine (CID 164537355) is 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine.
What is the SMILES notation for 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
The canonical SMILES for 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine is C=C(c1nnc(Cl)cc1OC)C(F)(F)F.
What is the InChIKey of 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
The InChIKey is KPRYCXJFTVWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c1-4(8(10,11)12)7-5(15-2)3-6(9)13-14-7/h3H,1H2,2H3.
What are the key properties of 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine?
6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine has a molecular weight of 238.60 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine is sourced from PubChem (CID 164537355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).