2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one

C10H8BrN3O — CID 104809211

IUPAC2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1cncc(Br)c1
InChIInChI=1S/C10H8BrN3O/c11-9-4-8(5-12-6-9)7-14-10(15)2-1-3-13-14/h1-6H,7H2
InChIKeyZIPSHXIYMJNZDN-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.45
Rot. Bonds2

About 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one

2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one (PubChem CID 104809211) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one
PubChem CID104809211
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1cncc(Br)c1
InChIInChI=1S/C10H8BrN3O/c11-9-4-8(5-12-6-9)7-14-10(15)2-1-3-13-14/h1-6H,7H2
InChIKeyZIPSHXIYMJNZDN-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

2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 55209830
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
2-[(5-bromo-3-pyridinyl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114396921
2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one
CID 103438545
2-[(3-amino-4-chlorophenyl)methyl]pyridazin-3-one
CID 62848712
4-[(6-oxopyridazin-1-yl)methyl]benzonitrile
CID 62849779
1-[(5-bromo-3-pyridinyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 86592102
3-bromo-4-[(6-oxopyridazin-1-yl)methyl]benzoic acid
CID 102766189
2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one
CID 116519203
2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one
CID 99844145
2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
CID 19432609

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one (CID 104809211) is 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one is O=c1cccnn1Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is ZIPSHXIYMJNZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-9-4-8(5-12-6-9)7-14-10(15)2-1-3-13-14/h1-6H,7H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one?
2-[(5-bromo-3-pyridinyl)methyl]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 2-[(5-bromo-3-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 104809211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).