2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile

C13H7F4N3 — CID 107644839

IUPAC2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C13H7F4N3/c1-6-2-7(5-18)3-10(19-6)20-13-11(16)8(14)4-9(15)12(13)17/h2-4H,1H3,(H,19,20)
InChIKeyBLZMDESIMUIPPA-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile

2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile (PubChem CID 107644839) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile
PubChem CID107644839
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C13H7F4N3/c1-6-2-7(5-18)3-10(19-6)20-13-11(16)8(14)4-9(15)12(13)17/h2-4H,1H3,(H,19,20)
InChIKeyBLZMDESIMUIPPA-UHFFFAOYSA-N
XLogP3.56
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766691
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 114770152
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-methyl-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-4-carbonitrile
CID 114159032
3-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644811
2-methyl-6-(pyrrol-1-ylamino)pyridine-4-carbonitrile
CID 114769768
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile (CID 107644839) is 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile?
The InChIKey is BLZMDESIMUIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c1-6-2-7(5-18)3-10(19-6)20-13-11(16)8(14)4-9(15)12(13)17/h2-4H,1H3,(H,19,20).
What are the key properties of 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile?
2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile has a molecular weight of 281.21 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107644839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).