1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine

C13H13ClFN3 — CID 104513567

IUPAC1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)nn1)Cc1ccccc1F
InChIInChI=1S/C13H13ClFN3/c1-18(8-10-4-2-3-5-12(10)15)9-11-6-7-13(14)17-16-11/h2-7H,8-9H2,1H3
InChIKeyAJILVINUTCEAGI-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.90
Rot. Bonds4

About 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine

1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine (PubChem CID 104513567) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
PubChem CID104513567
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)nn1)Cc1ccccc1F
InChIInChI=1S/C13H13ClFN3/c1-18(8-10-4-2-3-5-12(10)15)9-11-6-7-13(14)17-16-11/h2-7H,8-9H2,1H3
InChIKeyAJILVINUTCEAGI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine (CID 104513567) is 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine is CN(Cc1ccc(Cl)nn1)Cc1ccccc1F.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
The InChIKey is AJILVINUTCEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-18(8-10-4-2-3-5-12(10)15)9-11-6-7-13(14)17-16-11/h2-7H,8-9H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine?
1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine has a molecular weight of 265.72 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 104513567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).