3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine

C9H12BrN3 — CID 80668055

IUPAC3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
SMILESBrCC1CCCN1c1cccnn1
InChIInChI=1S/C9H12BrN3/c10-7-8-3-2-6-13(8)9-4-1-5-11-12-9/h1,4-5,8H,2-3,6-7H2
InChIKeyIMSRRZHKPONPQF-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.84
Rot. Bonds2

About 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine

3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine (PubChem CID 80668055) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
PubChem CID80668055
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
SMILESBrCC1CCCN1c1cccnn1
InChIInChI=1S/C9H12BrN3/c10-7-8-3-2-6-13(8)9-4-1-5-11-12-9/h1,4-5,8H,2-3,6-7H2
InChIKeyIMSRRZHKPONPQF-UHFFFAOYSA-N
XLogP1.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-bromopropyl)pyrrolidin-1-yl]pyridazine
CID 80680463
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
3-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]pyridazine
CID 57034400
(2R)-N,N-dimethyl-1-pyridazin-3-ylpyrrolidin-2-amine
CID 175192358
2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 80668053
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
3-[2-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80676121
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 95600206
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 167981169

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine (CID 80668055) is 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine is BrCC1CCCN1c1cccnn1.
What is the InChIKey of 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine?
The InChIKey is IMSRRZHKPONPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-7-8-3-2-6-13(8)9-4-1-5-11-12-9/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine?
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine has a molecular weight of 242.12 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 80668055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).