(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone

C13H10BrFN2O — CID 105116420

IUPAC(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)c2cc(Br)ccc2F)c(C)nn1
InChIInChI=1S/C13H10BrFN2O/c1-7-5-10(8(2)17-16-7)13(18)11-6-9(14)3-4-12(11)15/h3-6H,1-2H3
InChIKeyVODBQLBNYDDSTJ-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.23
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone

(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 105116420) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID105116420
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)c2cc(Br)ccc2F)c(C)nn1
InChIInChI=1S/C13H10BrFN2O/c1-7-5-10(8(2)17-16-7)13(18)11-6-9(14)3-4-12(11)15/h3-6H,1-2H3
InChIKeyVODBQLBNYDDSTJ-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(5-bromo-2-fluorophenyl)-(6-methyl-2-pyridinyl)methanone
CID 79742364
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
CID 105078698
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone (CID 105116420) is (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)c2cc(Br)ccc2F)c(C)nn1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is VODBQLBNYDDSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-7-5-10(8(2)17-16-7)13(18)11-6-9(14)3-4-12(11)15/h3-6H,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone?
(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 309.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 105116420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).