2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline

C11H8F2N4O2 — CID 106832701

IUPAC2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(F)c(NCc2cccnn2)c(F)c1
InChIInChI=1S/C11H8F2N4O2/c12-9-4-8(17(18)19)5-10(13)11(9)14-6-7-2-1-3-15-16-7/h1-5,14H,6H2
InChIKeyZAQVOIWXCPZFJL-UHFFFAOYSA-N
MW266.21 g/mol
LogP2.28
Rot. Bonds4

About 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline

2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline (PubChem CID 106832701) has the molecular formula C11H8F2N4O2 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline
PubChem CID106832701
Molecular FormulaC11H8F2N4O2
Molecular Weight266.21 g/mol
Exact Mass266.06
IUPAC Name2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(F)c(NCc2cccnn2)c(F)c1
InChIInChI=1S/C11H8F2N4O2/c12-9-4-8(17(18)19)5-10(13)11(9)14-6-7-2-1-3-15-16-7/h1-5,14H,6H2
InChIKeyZAQVOIWXCPZFJL-UHFFFAOYSA-N
XLogP2.28
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
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

2,6-difluoro-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 103828478
2-fluoro-4-nitro-5-(pyridazin-3-ylmethylamino)benzoic acid
CID 106896425
5-bromo-2-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106832706
2-methyl-3-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106896610
5-methoxy-2-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106832752
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
4-nitro-3-(pyridazin-3-ylmethylamino)benzoic acid
CID 106896435
1-(3-nitrophenyl)-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895420
1,3-dimethyl-4-nitro-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
CID 106832693
2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894891
2,6-dichloro-4-nitro-N-(pyridin-2-ylmethyl)aniline
CID 104916973
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline?
The IUPAC name of 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline (CID 106832701) is 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline?
The canonical SMILES for 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline is O=[N+]([O-])c1cc(F)c(NCc2cccnn2)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline?
The InChIKey is ZAQVOIWXCPZFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O2/c12-9-4-8(17(18)19)5-10(13)11(9)14-6-7-2-1-3-15-16-7/h1-5,14H,6H2.
What are the key properties of 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline?
2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline has a molecular weight of 266.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-nitro-N-(pyridazin-3-ylmethyl)aniline is sourced from PubChem (CID 106832701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).