4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one

C12H10FN3O3 — CID 175507495

IUPAC4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one
SMILESCc1cnn(C)c(=O)c1-c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H10FN3O3/c1-7-6-14-15(2)12(17)10(7)8-4-3-5-9(11(8)13)16(18)19/h3-6H,1-2H3
InChIKeyXNLHIGQKXPCVKQ-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.80
Rot. Bonds2

About 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one

4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one (PubChem CID 175507495) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one
PubChem CID175507495
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one
SMILESCc1cnn(C)c(=O)c1-c1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C12H10FN3O3/c1-7-6-14-15(2)12(17)10(7)8-4-3-5-9(11(8)13)16(18)19/h3-6H,1-2H3
InChIKeyXNLHIGQKXPCVKQ-UHFFFAOYSA-N
XLogP1.80
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
4-(2-fluoro-3-nitrophenyl)-2-methyltriazole
CID 175500139
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
CID 119007627
3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
CID 175739955
3-[(2-fluoro-3-nitrophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 107348553
2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
2-tert-butyl-4-nitroisoindole-1,3-dione
CID 5220044
2-(4-bromo-3,5-dimethylphenyl)-4-nitroisoindole-1,3-dione
CID 1291235
2-fluoro-3-nitrobenzenethiol
CID 150966196

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one?
The IUPAC name of 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one (CID 175507495) is 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one.
What is the SMILES notation for 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one?
The canonical SMILES for 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one is Cc1cnn(C)c(=O)c1-c1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one?
The InChIKey is XNLHIGQKXPCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-7-6-14-15(2)12(17)10(7)8-4-3-5-9(11(8)13)16(18)19/h3-6H,1-2H3.
What are the key properties of 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one?
4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one has a molecular weight of 263.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-nitrophenyl)-2,5-dimethylpyridazin-3-one is sourced from PubChem (CID 175507495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).