N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline

C13H13ClFN3 — CID 104513670

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(Cc1ccc(Cl)nn1)c1cccc(F)c1
InChIInChI=1S/C13H13ClFN3/c1-2-18(12-5-3-4-10(15)8-12)9-11-6-7-13(14)17-16-11/h3-8H,2,9H2,1H3
InChIKeyPXYGPBFIODXAPH-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.30
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline

N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline (PubChem CID 104513670) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline
PubChem CID104513670
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(Cc1ccc(Cl)nn1)c1cccc(F)c1
InChIInChI=1S/C13H13ClFN3/c1-2-18(12-5-3-4-10(15)8-12)9-11-6-7-13(14)17-16-11/h3-8H,2,9H2,1H3
InChIKeyPXYGPBFIODXAPH-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline (CID 104513670) is N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline is CCN(Cc1ccc(Cl)nn1)c1cccc(F)c1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline?
The InChIKey is PXYGPBFIODXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-2-18(12-5-3-4-10(15)8-12)9-11-6-7-13(14)17-16-11/h3-8H,2,9H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline?
N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline has a molecular weight of 265.72 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 104513670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).