3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile

C13H10F2N4 — CID 61097247

IUPAC3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cccc(F)c2F)c(C#N)c1C
InChIInChI=1S/C13H10F2N4/c1-7-8(2)18-19-13(9(7)6-16)17-11-5-3-4-10(14)12(11)15/h3-5H,1-2H3,(H,17,19)
InChIKeyJTAULQFKLLQOFO-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.99
Rot. Bonds2

About 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile

3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61097247) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61097247
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2cccc(F)c2F)c(C#N)c1C
InChIInChI=1S/C13H10F2N4/c1-7-8(2)18-19-13(9(7)6-16)17-11-5-3-4-10(14)12(11)15/h3-5H,1-2H3,(H,17,19)
InChIKeyJTAULQFKLLQOFO-UHFFFAOYSA-N
XLogP2.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
3-(4-bromo-2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096439
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61095850
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
3-[[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 122138555
5,6-dimethyl-3-[3-(3,3,3-trifluoropropyl)anilino]pyridazine-4-carbonitrile
CID 133347707
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile (CID 61097247) is 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Nc2cccc(F)c2F)c(C#N)c1C.
What is the InChIKey of 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is JTAULQFKLLQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c1-7-8(2)18-19-13(9(7)6-16)17-11-5-3-4-10(14)12(11)15/h3-5H,1-2H3,(H,17,19).
What are the key properties of 3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 260.25 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-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61097247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).