3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile

C11H6BrFN4 — CID 80509315

IUPAC3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1cc(Br)ccc1F
InChIInChI=1S/C11H6BrFN4/c12-8-1-2-9(13)10(5-8)16-11-7(6-14)3-4-15-17-11/h1-5H,(H,16,17)
InChIKeyHIYDOWCHZGNOET-UHFFFAOYSA-N
MW293.10 g/mol
LogP2.99
Rot. Bonds2

About 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile

3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile (PubChem CID 80509315) has the molecular formula C11H6BrFN4 and a molecular weight of 293.10 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
PubChem CID80509315
Molecular FormulaC11H6BrFN4
Molecular Weight293.10 g/mol
Exact Mass291.98
IUPAC Name3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1cc(Br)ccc1F
InChIInChI=1S/C11H6BrFN4/c12-8-1-2-9(13)10(5-8)16-11-7(6-14)3-4-15-17-11/h1-5H,(H,16,17)
InChIKeyHIYDOWCHZGNOET-UHFFFAOYSA-N
XLogP2.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
CID 83088195
3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 80509175
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
3-(2-phenylanilino)pyridazine-4-carbonitrile
CID 80508211
2-(2,5-dibromoanilino)pyridine-3-carbonitrile
CID 54955346
3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
CID 113297690
3-(4-bromo-2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510923
4-bromo-2-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103586124
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698
2-[[6-(5-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]acetonitrile
CID 115264792
3-[3-(dimethylamino)-4-methylanilino]pyridazine-4-carbonitrile
CID 115377531
4-(5-bromo-2-fluoroanilino)-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143494

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile (CID 80509315) is 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile is N#Cc1ccnnc1Nc1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile?
The InChIKey is HIYDOWCHZGNOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4/c12-8-1-2-9(13)10(5-8)16-11-7(6-14)3-4-15-17-11/h1-5H,(H,16,17).
What are the key properties of 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile?
3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile has a molecular weight of 293.10 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).