3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine

C11H7ClF3N3 — CID 117127131

IUPAC3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl
InChIInChI=1S/C11H7ClF3N3/c12-10-8(16)5-9(17-18-10)6-2-1-3-7(4-6)11(13,14)15/h1-5H,(H2,16,17)
InChIKeyBJMWKEHRRCPBKS-UHFFFAOYSA-N
MW273.65 g/mol
LogP3.40
Rot. Bonds1

About 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine

3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine (PubChem CID 117127131) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
PubChem CID117127131
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl
InChIInChI=1S/C11H7ClF3N3/c12-10-8(16)5-9(17-18-10)6-2-1-3-7(4-6)11(13,14)15/h1-5H,(H2,16,17)
InChIKeyBJMWKEHRRCPBKS-UHFFFAOYSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-Benzyl-6-chloropyridazine
CID 6404535
3-Chloro-6-[(3-methylphenyl)methyl]pyridazine
CID 6404581
3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 12449552
3-Chloro-6-(4-fluorophenyl)pyridazine
CID 6422444
3-Chloro-6-(2-fluorobenzyl)pyridazine
CID 6404571
3-Chloro-6-(3-fluorophenyl)-4-methylpyridazine
CID 54595715
2-(6-Chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 15264927
3-Chloro-4-methyl-6-phenylpyridazine
CID 119999
3-Chloro-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 91578216
3-Chloro-6-phenyl-4-(trifluoromethyl)pyridazine
CID 10587337
Pyridazine, 3-chloro-6-[4-(trifluoromethyl)phenyl]-
CID 12449554

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The IUPAC name of 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine (CID 117127131) is 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine.
What is the SMILES notation for 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The canonical SMILES for 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine is Nc1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl.
What is the InChIKey of 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
The InChIKey is BJMWKEHRRCPBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-10-8(16)5-9(17-18-10)6-2-1-3-7(4-6)11(13,14)15/h1-5H,(H2,16,17).
What are the key properties of 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine?
3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine has a molecular weight of 273.65 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazin-4-amine is sourced from PubChem (CID 117127131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).