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

C13H11FN4 — CID 61097029

IUPAC3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccccc2F)c(C#N)c1C
InChIInChI=1S/C13H11FN4/c1-8-9(2)17-18-13(10(8)7-15)16-12-6-4-3-5-11(12)14/h3-6H,1-2H3,(H,16,18)
InChIKeyPGGDUMLKBMTSSR-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.85
Rot. Bonds2

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

3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61097029) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61097029
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(Nc2ccccc2F)c(C#N)c1C
InChIInChI=1S/C13H11FN4/c1-8-9(2)17-18-13(10(8)7-15)16-12-6-4-3-5-11(12)14/h3-6H,1-2H3,(H,16,18)
InChIKeyPGGDUMLKBMTSSR-UHFFFAOYSA-N
XLogP2.85
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097247
3-(4-bromo-2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096439
5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61095850
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
CID 107644815
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 103908152
5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile (CID 61097029) is 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(Nc2ccccc2F)c(C#N)c1C.
What is the InChIKey of 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is PGGDUMLKBMTSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-9(2)17-18-13(10(8)7-15)16-12-6-4-3-5-11(12)14/h3-6H,1-2H3,(H,16,18).
What are the key properties of 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile?
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61097029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).