2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one

C12H9BrF2N2O2 — CID 67738554

IUPAC2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one
SMILESO=c1c(OC(F)F)ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C12H9BrF2N2O2/c13-9-3-1-2-8(6-9)7-17-11(18)10(4-5-16-17)19-12(14)15/h1-6,12H,7H2
InChIKeyRRPDALZGSRGDPW-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.66
Rot. Bonds4

About 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one

2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one (PubChem CID 67738554) has the molecular formula C12H9BrF2N2O2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one
PubChem CID67738554
Molecular FormulaC12H9BrF2N2O2
Molecular Weight331.12 g/mol
Exact Mass329.98
IUPAC Name2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one
SMILESO=c1c(OC(F)F)ccnn1Cc1cccc(Br)c1
InChIInChI=1S/C12H9BrF2N2O2/c13-9-3-1-2-8(6-9)7-17-11(18)10(4-5-16-17)19-12(14)15/h1-6,12H,7H2
InChIKeyRRPDALZGSRGDPW-UHFFFAOYSA-N
XLogP2.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromophenyl)methyl]-3-oxopyridazin-4-yl]-N-(4-fluoro-3-oxobutan-2-yl)propanamide;ethane;ethanol
CID 143620685
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66016696
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473
1-[(3-bromophenyl)methyl]-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437526
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene
CID 63531588
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119732827
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55776655
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55776652
(5Z)-3-[(3-bromophenyl)methyl]-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126366750
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one (CID 67738554) is 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one is O=c1c(OC(F)F)ccnn1Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one?
The InChIKey is RRPDALZGSRGDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2/c13-9-3-1-2-8(6-9)7-17-11(18)10(4-5-16-17)19-12(14)15/h1-6,12H,7H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one?
2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one has a molecular weight of 331.12 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-4-(difluoromethoxy)pyridazin-3-one is sourced from PubChem (CID 67738554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).