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

C11H7ClF3N3 — CID 43090236

IUPAC6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESFC(F)(F)c1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H7ClF3N3/c12-9-5-6-10(18-17-9)16-8-3-1-7(2-4-8)11(13,14)15/h1-6H,(H,16,18)
InChIKeyLNLJXMNJFJWNJU-UHFFFAOYSA-N
MW273.65 g/mol
LogP3.89
Rot. Bonds2

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

6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 43090236) has the molecular formula C11H7ClF3N3 and a molecular weight of 273.65 g/mol. Its IUPAC name is 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID43090236
Molecular FormulaC11H7ClF3N3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC Name6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESFC(F)(F)c1ccc(Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H7ClF3N3/c12-9-5-6-10(18-17-9)16-8-3-1-7(2-4-8)11(13,14)15/h1-6H,(H,16,18)
InChIKeyLNLJXMNJFJWNJU-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 43090236) is 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine is FC(F)(F)c1ccc(Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is LNLJXMNJFJWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3/c12-9-5-6-10(18-17-9)16-8-3-1-7(2-4-8)11(13,14)15/h1-6H,(H,16,18).
What are the key properties of 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 273.65 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 43090236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).