3-(2-bromoanilino)-1H-pyridazin-6-one

C10H8BrN3O — CID 54767794

IUPAC3-(2-bromoanilino)-1H-pyridazin-6-one
SMILESO=c1ccc(Nc2ccccc2Br)n[nH]1
InChIInChI=1S/C10H8BrN3O/c11-7-3-1-2-4-8(7)12-9-5-6-10(15)14-13-9/h1-6H,(H,12,13)(H,14,15)
InChIKeyPARLMWUCYJBSOX-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.28
Rot. Bonds2

About 3-(2-bromoanilino)-1H-pyridazin-6-one

3-(2-bromoanilino)-1H-pyridazin-6-one (PubChem CID 54767794) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 3-(2-bromoanilino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-bromoanilino)-1H-pyridazin-6-one
PubChem CID54767794
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name3-(2-bromoanilino)-1H-pyridazin-6-one
SMILESO=c1ccc(Nc2ccccc2Br)n[nH]1
InChIInChI=1S/C10H8BrN3O/c11-7-3-1-2-4-8(7)12-9-5-6-10(15)14-13-9/h1-6H,(H,12,13)(H,14,15)
InChIKeyPARLMWUCYJBSOX-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 7585579
N-(3-bromophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 945194
3-(2-fluoroanilino)-1H-pyridazin-6-one
CID 54765556
3-(2,3-difluoroanilino)-1H-pyridazin-6-one
CID 141300647
3-(2,5-difluoroanilino)-1H-pyridazin-6-one
CID 141300650
3-(3,4-difluoroanilino)-1H-pyridazin-6-one
CID 141300651
3-(3,5-difluoroanilino)-1H-pyridazin-6-one
CID 141300652
3-(4-fluoroanilino)-1H-pyridazin-6-one
CID 141300653
3-(3-fluoroanilino)-1H-pyridazin-6-one
CID 141300655
5-(2-Bromoanilino)-2-methylpyridazin-3-one
CID 85964701
4-(4-bromoanilino)-3,5-difluoro-1H-pyridazin-6-one
CID 44221605
3,5-bis(4-bromoanilino)-4-fluoro-1H-pyridazin-6-one
CID 44222173

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-bromoanilino)-1H-pyridazin-6-one (CID 54767794) is 3-(2-bromoanilino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-bromoanilino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-bromoanilino)-1H-pyridazin-6-one is O=c1ccc(Nc2ccccc2Br)n[nH]1.
What is the InChIKey of 3-(2-bromoanilino)-1H-pyridazin-6-one?
The InChIKey is PARLMWUCYJBSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-7-3-1-2-4-8(7)12-9-5-6-10(15)14-13-9/h1-6H,(H,12,13)(H,14,15).
What are the key properties of 3-(2-bromoanilino)-1H-pyridazin-6-one?
3-(2-bromoanilino)-1H-pyridazin-6-one has a molecular weight of 266.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-1H-pyridazin-6-one is sourced from PubChem (CID 54767794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).