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

C13H13ClFN3 — CID 104513498

IUPACN-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(F)c1)Cc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClFN3/c1-18(8-10-3-2-4-11(15)7-10)9-12-5-6-13(14)17-16-12/h2-7H,8-9H2,1H3
InChIKeyQDDSYGMPONKMPK-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.90
Rot. Bonds4

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

N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 104513498) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID104513498
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(F)c1)Cc1ccc(Cl)nn1
InChIInChI=1S/C13H13ClFN3/c1-18(8-10-3-2-4-11(15)7-10)9-12-5-6-13(14)17-16-12/h2-7H,8-9H2,1H3
InChIKeyQDDSYGMPONKMPK-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 N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine (CID 104513498) is N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine is CN(Cc1cccc(F)c1)Cc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is QDDSYGMPONKMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-18(8-10-3-2-4-11(15)7-10)9-12-5-6-13(14)17-16-12/h2-7H,8-9H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-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 N-[(6-chloropyridazin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 104513498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).