6-chloro-N-(2-fluoroethyl)pyridazin-4-amine

C6H7ClFN3 — CID 126976328

IUPAC6-chloro-N-(2-fluoroethyl)pyridazin-4-amine
SMILESFCCNc1cnnc(Cl)c1
InChIInChI=1S/C6H7ClFN3/c7-6-3-5(4-10-11-6)9-2-1-8/h3-4H,1-2H2,(H,9,11)
InChIKeyCNIRBKAFVRZYPB-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.51
Rot. Bonds3

About 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine

6-chloro-N-(2-fluoroethyl)pyridazin-4-amine (PubChem CID 126976328) has the molecular formula C6H7ClFN3 and a molecular weight of 175.59 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluoroethyl)pyridazin-4-amine
PubChem CID126976328
Molecular FormulaC6H7ClFN3
Molecular Weight175.59 g/mol
Exact Mass175.03
IUPAC Name6-chloro-N-(2-fluoroethyl)pyridazin-4-amine
SMILESFCCNc1cnnc(Cl)c1
InChIInChI=1S/C6H7ClFN3/c7-6-3-5(4-10-11-6)9-2-1-8/h3-4H,1-2H2,(H,9,11)
InChIKeyCNIRBKAFVRZYPB-UHFFFAOYSA-N
XLogP1.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine (CID 126976328) is 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine is FCCNc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine?
The InChIKey is CNIRBKAFVRZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3/c7-6-3-5(4-10-11-6)9-2-1-8/h3-4H,1-2H2,(H,9,11).
What are the key properties of 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine?
6-chloro-N-(2-fluoroethyl)pyridazin-4-amine has a molecular weight of 175.59 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoroethyl)pyridazin-4-amine is sourced from PubChem (CID 126976328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).