N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine

C11H8BrClFN3 — CID 54902790

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine
SMILESFc1ccc(Br)c(CNc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8BrClFN3/c12-9-2-1-8(14)5-7(9)6-15-11-4-3-10(13)16-17-11/h1-5H,6H2,(H,15,17)
InChIKeyNWMSOQCABGULFO-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.64
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine

N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine (PubChem CID 54902790) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine
PubChem CID54902790
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine
SMILESFc1ccc(Br)c(CNc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8BrClFN3/c12-9-2-1-8(14)5-7(9)6-15-11-4-3-10(13)16-17-11/h1-5H,6H2,(H,15,17)
InChIKeyNWMSOQCABGULFO-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine (CID 54902790) is N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine is Fc1ccc(Br)c(CNc2ccc(Cl)nn2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine?
The InChIKey is NWMSOQCABGULFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c12-9-2-1-8(14)5-7(9)6-15-11-4-3-10(13)16-17-11/h1-5H,6H2,(H,15,17).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine has a molecular weight of 316.56 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-chloropyridazin-3-amine is sourced from PubChem (CID 54902790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).