N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide

C14H16ClFN4OSi — CID 172561438

IUPACN'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide
SMILESC[Si](C)(C)c1cc(NNC(=O)c2ccc(F)cc2)nnc1Cl
InChIInChI=1S/C14H16ClFN4OSi/c1-22(2,3)11-8-12(17-19-13(11)15)18-20-14(21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,17,18)(H,20,21)
InChIKeyPOBOPBYQXIYFFJ-UHFFFAOYSA-N
MW338.85 g/mol
LogP2.57
Rot. Bonds4

About N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide

N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide (PubChem CID 172561438) has the molecular formula C14H16ClFN4OSi and a molecular weight of 338.85 g/mol. Its IUPAC name is N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide
PubChem CID172561438
Molecular FormulaC14H16ClFN4OSi
Molecular Weight338.85 g/mol
Exact Mass338.08
IUPAC NameN'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide
SMILESC[Si](C)(C)c1cc(NNC(=O)c2ccc(F)cc2)nnc1Cl
InChIInChI=1S/C14H16ClFN4OSi/c1-22(2,3)11-8-12(17-19-13(11)15)18-20-14(21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,17,18)(H,20,21)
InChIKeyPOBOPBYQXIYFFJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)benzohydrazide
CID 15486173
4-chloro-N'-(6-chloropyridazin-3-yl)benzohydrazide
CID 6401637
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
4-chloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 2805711
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
[[4-(4-fluorophenyl)benzoyl]amino]urea
CID 23433295
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide (CID 172561438) is N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide is C[Si](C)(C)c1cc(NNC(=O)c2ccc(F)cc2)nnc1Cl.
What is the InChIKey of N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide?
The InChIKey is POBOPBYQXIYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4OSi/c1-22(2,3)11-8-12(17-19-13(11)15)18-20-14(21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H,17,18)(H,20,21).
What are the key properties of N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide?
N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide has a molecular weight of 338.85 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-trimethylsilylpyridazin-3-yl)-4-fluorobenzohydrazide is sourced from PubChem (CID 172561438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).