4-(6-chloropyridazin-4-yl)-2-fluoroaniline

C10H7ClFN3 — CID 162439912

IUPAC4-(6-chloropyridazin-4-yl)-2-fluoroaniline
SMILESNc1ccc(-c2cnnc(Cl)c2)cc1F
InChIInChI=1S/C10H7ClFN3/c11-10-4-7(5-14-15-10)6-1-2-9(13)8(12)3-6/h1-5H,13H2
InChIKeyOYVTVIXFTJWRPE-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.52
Rot. Bonds1

About 4-(6-chloropyridazin-4-yl)-2-fluoroaniline

4-(6-chloropyridazin-4-yl)-2-fluoroaniline (PubChem CID 162439912) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 4-(6-chloropyridazin-4-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(6-chloropyridazin-4-yl)-2-fluoroaniline
PubChem CID162439912
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name4-(6-chloropyridazin-4-yl)-2-fluoroaniline
SMILESNc1ccc(-c2cnnc(Cl)c2)cc1F
InChIInChI=1S/C10H7ClFN3/c11-10-4-7(5-14-15-10)6-1-2-9(13)8(12)3-6/h1-5H,13H2
InChIKeyOYVTVIXFTJWRPE-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-4-yl)-2-fluoroaniline?
The IUPAC name of 4-(6-chloropyridazin-4-yl)-2-fluoroaniline (CID 162439912) is 4-(6-chloropyridazin-4-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(6-chloropyridazin-4-yl)-2-fluoroaniline?
The canonical SMILES for 4-(6-chloropyridazin-4-yl)-2-fluoroaniline is Nc1ccc(-c2cnnc(Cl)c2)cc1F.
What is the InChIKey of 4-(6-chloropyridazin-4-yl)-2-fluoroaniline?
The InChIKey is OYVTVIXFTJWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c11-10-4-7(5-14-15-10)6-1-2-9(13)8(12)3-6/h1-5H,13H2.
What are the key properties of 4-(6-chloropyridazin-4-yl)-2-fluoroaniline?
4-(6-chloropyridazin-4-yl)-2-fluoroaniline has a molecular weight of 223.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-4-yl)-2-fluoroaniline is sourced from PubChem (CID 162439912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).