2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one

C13H10F2N2O — CID 174379801

IUPAC2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one
SMILESO=c1cccnn1CC=Cc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O/c14-11-6-5-10(12(15)9-11)3-2-8-17-13(18)4-1-7-16-17/h1-7,9H,8H2
InChIKeyMKGHSRYWAOLPOB-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.23
Rot. Bonds3

About 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one

2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one (PubChem CID 174379801) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one
PubChem CID174379801
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one
SMILESO=c1cccnn1CC=Cc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O/c14-11-6-5-10(12(15)9-11)3-2-8-17-13(18)4-1-7-16-17/h1-7,9H,8H2
InChIKeyMKGHSRYWAOLPOB-UHFFFAOYSA-N
XLogP2.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,4-difluorophenyl)prop-2-enyl]-5-(4-fluorophenyl)-6-(4-methylsulfinylphenyl)pyridazin-3-one
CID 68849926
2-(fluoromethyl)pyridazin-3-one
CID 140988504
5-fluoro-2-[(6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 63293158
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
2-[2-(4-fluoroanilino)ethyl]pyridazin-3-one
CID 62851214
(E)-4-(2,4-difluorophenyl)but-3-ene-1-sulfonyl chloride
CID 82487105
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633
1-[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-2,5-dimethylpiperazine
CID 120906011
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one (CID 174379801) is 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one is O=c1cccnn1CC=Cc1ccc(F)cc1F.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is MKGHSRYWAOLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-11-6-5-10(12(15)9-11)3-2-8-17-13(18)4-1-7-16-17/h1-7,9H,8H2.
What are the key properties of 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one?
2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 248.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 174379801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).