bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one

C12H16BrClN2O — CID 68742893

IUPACbromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESBrCC1CC1.O=c1ccc(Cl)nn1CC1CC1
InChIInChI=1S/C8H9ClN2O.C4H7Br/c9-7-3-4-8(12)11(10-7)5-6-1-2-6;5-3-4-1-2-4/h3-4,6H,1-2,5H2;4H,1-3H2
InChIKeyANMZSPDQSSVJKO-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.10
Rot. Bonds3

About bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one

bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 68742893) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Namebromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID68742893
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Namebromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESBrCC1CC1.O=c1ccc(Cl)nn1CC1CC1
InChIInChI=1S/C8H9ClN2O.C4H7Br/c9-7-3-4-8(12)11(10-7)5-6-1-2-6;5-3-4-1-2-4/h3-4,6H,1-2,5H2;4H,1-3H2
InChIKeyANMZSPDQSSVJKO-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 68742893) is bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one is BrCC1CC1.O=c1ccc(Cl)nn1CC1CC1.
What is the InChIKey of bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is ANMZSPDQSSVJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O.C4H7Br/c9-7-3-4-8(12)11(10-7)5-6-1-2-6;5-3-4-1-2-4/h3-4,6H,1-2,5H2;4H,1-3H2.
What are the key properties of bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 319.63 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylcyclopropane;6-chloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 68742893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).