(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone

C11H6BrFN2O — CID 106647314

IUPAC(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1cccc(Br)c1F
InChIInChI=1S/C11H6BrFN2O/c12-9-3-1-2-8(10(9)13)11(16)7-4-5-14-15-6-7/h1-6H
InChIKeyYWJFNXSTXUSYKP-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.61
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone

(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone (PubChem CID 106647314) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
PubChem CID106647314
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1cccc(Br)c1F
InChIInChI=1S/C11H6BrFN2O/c12-9-3-1-2-8(10(9)13)11(16)7-4-5-14-15-6-7/h1-6H
InChIKeyYWJFNXSTXUSYKP-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
CID 105396670
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340
(5-amino-1H-pyrazol-4-yl)-(3-bromo-2-fluorophenyl)methanone
CID 106644828
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
(3-bromo-2-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 107949641
(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 107949876
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone (CID 106647314) is (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone is O=C(c1ccnnc1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone?
The InChIKey is YWJFNXSTXUSYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/c12-9-3-1-2-8(10(9)13)11(16)7-4-5-14-15-6-7/h1-6H.
What are the key properties of (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone?
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone has a molecular weight of 281.08 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 106647314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).