6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one

C10H8BrN3O — CID 124926524

IUPAC6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1Cc1ccccn1
InChIInChI=1S/C10H8BrN3O/c11-9-4-5-10(15)14(13-9)7-8-3-1-2-6-12-8/h1-6H,7H2
InChIKeyJKYLPRSZIVNWFV-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.45
Rot. Bonds2

About 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one

6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 124926524) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID124926524
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1Cc1ccccn1
InChIInChI=1S/C10H8BrN3O/c11-9-4-5-10(15)14(13-9)7-8-3-1-2-6-12-8/h1-6H,7H2
InChIKeyJKYLPRSZIVNWFV-UHFFFAOYSA-N
XLogP1.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 126853156
6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 40531976
2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
CID 71390982
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
CID 130834125
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
4-cyclopropyl-5-methyl-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-one
CID 126953671
1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
CID 123739910
4-methyl-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyridazin-7-one
CID 166400154
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
methyl 2-[5-fluoro-2-methyl-3-[[6-oxo-1-(pyridin-2-ylmethyl)pyridazin-3-yl]methyl]indol-1-yl]acetate
CID 67150745
3-(pyridin-2-ylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 75509161

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one (CID 124926524) is 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one is O=c1ccc(Br)nn1Cc1ccccn1.
What is the InChIKey of 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is JKYLPRSZIVNWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-9-4-5-10(15)14(13-9)7-8-3-1-2-6-12-8/h1-6H,7H2.
What are the key properties of 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one?
6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 266.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 124926524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).