3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline

C13H12Cl2FN3O — CID 153374516

IUPAC3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline
SMILESCC(C)c1cc(Oc2c(F)cc(N)cc2Cl)nnc1Cl
InChIInChI=1S/C13H12Cl2FN3O/c1-6(2)8-5-11(18-19-13(8)15)20-12-9(14)3-7(17)4-10(12)16/h3-6H,17H2,1-2H3
InChIKeyDWUOGMXGBCJMEA-UHFFFAOYSA-N
MW316.16 g/mol
LogP4.42
Rot. Bonds3

About 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline

3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline (PubChem CID 153374516) has the molecular formula C13H12Cl2FN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline
PubChem CID153374516
Molecular FormulaC13H12Cl2FN3O
Molecular Weight316.16 g/mol
Exact Mass315.03
IUPAC Name3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline
SMILESCC(C)c1cc(Oc2c(F)cc(N)cc2Cl)nnc1Cl
InChIInChI=1S/C13H12Cl2FN3O/c1-6(2)8-5-11(18-19-13(8)15)20-12-9(14)3-7(17)4-10(12)16/h3-6H,17H2,1-2H3
InChIKeyDWUOGMXGBCJMEA-UHFFFAOYSA-N
XLogP4.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline?
The IUPAC name of 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline (CID 153374516) is 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline.
What is the SMILES notation for 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline?
The canonical SMILES for 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline is CC(C)c1cc(Oc2c(F)cc(N)cc2Cl)nnc1Cl.
What is the InChIKey of 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline?
The InChIKey is DWUOGMXGBCJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3O/c1-6(2)8-5-11(18-19-13(8)15)20-12-9(14)3-7(17)4-10(12)16/h3-6H,17H2,1-2H3.
What are the key properties of 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline?
3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline has a molecular weight of 316.16 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-5-fluoroaniline is sourced from PubChem (CID 153374516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).