6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile

C11H6ClFN4 — CID 163350395

IUPAC6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C11H6ClFN4/c12-9-5-7(1-3-10(9)13)15-11-4-2-8(6-14)16-17-11/h1-5H,(H,15,17)
InChIKeyXGRZIIFRIYDXIQ-UHFFFAOYSA-N
MW248.65 g/mol
LogP2.88
Rot. Bonds2

About 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile

6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile (PubChem CID 163350395) has the molecular formula C11H6ClFN4 and a molecular weight of 248.65 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
PubChem CID163350395
Molecular FormulaC11H6ClFN4
Molecular Weight248.65 g/mol
Exact Mass248.03
IUPAC Name6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C11H6ClFN4/c12-9-5-7(1-3-10(9)13)15-11-4-2-8(6-14)16-17-11/h1-5H,(H,15,17)
InChIKeyXGRZIIFRIYDXIQ-UHFFFAOYSA-N
XLogP2.88
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.65
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
6-(3-chloro-4-fluoroanilino)-3-nitropyridine-2-carbonitrile
CID 103471208
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559
6-chloro-N-(3,4-difluorophenyl)pyridazin-3-amine
CID 43151751
6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
3-[[5-(3-chloro-4-fluoroanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112966654
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
CID 133419252
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile (CID 163350395) is 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile is N#Cc1ccc(Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile?
The InChIKey is XGRZIIFRIYDXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4/c12-9-5-7(1-3-10(9)13)15-11-4-2-8(6-14)16-17-11/h1-5H,(H,15,17).
What are the key properties of 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile?
6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile has a molecular weight of 248.65 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile is sourced from PubChem (CID 163350395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).