3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile

C11H5ClF2N4 — CID 83088195

IUPAC3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H5ClF2N4/c12-8-3-7(13)4-9(14)10(8)17-11-6(5-15)1-2-16-18-11/h1-4H,(H,17,18)
InChIKeyZURXVKNRSPUCFS-UHFFFAOYSA-N
MW266.64 g/mol
LogP3.02
Rot. Bonds2

About 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile

3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile (PubChem CID 83088195) has the molecular formula C11H5ClF2N4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
PubChem CID83088195
Molecular FormulaC11H5ClF2N4
Molecular Weight266.64 g/mol
Exact Mass266.02
IUPAC Name3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H5ClF2N4/c12-8-3-7(13)4-9(14)10(8)17-11-6(5-15)1-2-16-18-11/h1-4H,(H,17,18)
InChIKeyZURXVKNRSPUCFS-UHFFFAOYSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4,6-difluoroanilino)pyrazine-2-carbonitrile
CID 83087195
3-(5-bromo-2-fluoroanilino)pyridazine-4-carbonitrile
CID 80509315
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
6-(2-chloro-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 83087105
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
2-(2-bromo-4,6-difluoroanilino)pyridine-3-carbonitrile
CID 43347821
3-(2-bromo-6-chloro-4-fluoroanilino)pyridazine-4-carbothioamide
CID 107612288
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
2-chloro-N-(2-chloro-4,6-difluorophenyl)-5-fluoropyrimidin-4-amine
CID 83087621
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-[2-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 80509175
4-(2-bromo-4,6-difluoroanilino)-2-chlorobenzonitrile
CID 63512271

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile (CID 83088195) is 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile is N#Cc1ccnnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile?
The InChIKey is ZURXVKNRSPUCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF2N4/c12-8-3-7(13)4-9(14)10(8)17-11-6(5-15)1-2-16-18-11/h1-4H,(H,17,18).
What are the key properties of 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile?
3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile has a molecular weight of 266.64 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-difluoroanilino)pyridazine-4-carbonitrile is sourced from PubChem (CID 83088195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).