N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide

C11H5ClF3N3O — CID 113241160

IUPACN-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H5ClF3N3O/c12-8-1-2-9(18-17-8)16-11(19)10-6(14)3-5(13)4-7(10)15/h1-4H,(H,16,18,19)
InChIKeyJMFPAQVESCPQNT-UHFFFAOYSA-N
MW287.63 g/mol
LogP2.80
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide

N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide (PubChem CID 113241160) has the molecular formula C11H5ClF3N3O and a molecular weight of 287.63 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
PubChem CID113241160
Molecular FormulaC11H5ClF3N3O
Molecular Weight287.63 g/mol
Exact Mass287.01
IUPAC NameN-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H5ClF3N3O/c12-8-1-2-9(18-17-8)16-11(19)10-6(14)3-5(13)4-7(10)15/h1-4H,(H,16,18,19)
InChIKeyJMFPAQVESCPQNT-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
CID 115871247
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
CID 115608607
2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
CID 136792800
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide (CID 113241160) is N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide is O=C(Nc1ccc(Cl)nn1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide?
The InChIKey is JMFPAQVESCPQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3O/c12-8-1-2-9(18-17-8)16-11(19)10-6(14)3-5(13)4-7(10)15/h1-4H,(H,16,18,19).
What are the key properties of N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide?
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide has a molecular weight of 287.63 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 113241160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).