3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one

Name: 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₁BrN₄O₂ — CID 158081158

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one

SMILESCc1ccc(=O)[nH]n1.O=c1ccc(CBr)n[nH]1

InChIInChI=1S/C5H5BrN2O.C5H6N2O/c6-3-4-1-2-5(9)8-7-4;1-4-2-3-5(8)7-6-4/h1-2H,3H2,(H,8,9);2-3H,1H3,(H,7,8)

InChIKeyFMYVWCQPFYRVSM-UHFFFAOYSA-N

MW299.13 g/mol

LogP0.74

Rot. Bonds1

About 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one

3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one (PubChem CID 158081158) has the molecular formula C₁₀H₁₁BrN₄O₂ and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name	3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one
PubChem CID	158081158
Molecular Formula	C₁₀H₁₁BrN₄O₂
Molecular Weight	299.13 g/mol
Exact Mass	298.01
IUPAC Name	3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one
SMILES	Cc1ccc(=O)[nH]n1.O=c1ccc(CBr)n[nH]1
InChI	InChI=1S/C5H5BrN2O.C5H6N2O/c6-3-4-1-2-5(9)8-7-4;1-4-2-3-5(8)7-6-4/h1-2H,3H2,(H,8,9);2-3H,1H3,(H,7,8)
InChIKey	FMYVWCQPFYRVSM-UHFFFAOYSA-N
XLogP	0.74
TPSA	91.50 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.13
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one?

The IUPAC name of 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one (CID 158081158) is 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one.

What is the SMILES notation for 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one?

The canonical SMILES for 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one is Cc1ccc(=O)[nH]n1.O=c1ccc(CBr)n[nH]1.

What is the InChIKey of 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one?

The InChIKey is FMYVWCQPFYRVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O.C5H6N2O/c6-3-4-1-2-5(9)8-7-4;1-4-2-3-5(8)7-6-4/h1-2H,3H2,(H,8,9);2-3H,1H3,(H,7,8).

What are the key properties of 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one?

3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one has a molecular weight of 299.13 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(bromomethyl)-1H-pyridazin-6-one;3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 158081158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 158081158 — identifiers, structure, computed properties (public domain)

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