4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile

C10H11F2N3 — CID 115282671

IUPAC4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(F)F)c(C#N)c(C)n1
InChIInChI=1S/C10H11F2N3/c1-6-3-9(14-5-10(11)12)8(4-13)7(2)15-6/h3,10H,5H2,1-2H3,(H,14,15)
InChIKeyUVSZRRVLSDXSLO-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.25
Rot. Bonds3

About 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile

4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 115282671) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID115282671
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(F)F)c(C#N)c(C)n1
InChIInChI=1S/C10H11F2N3/c1-6-3-9(14-5-10(11)12)8(4-13)7(2)15-6/h3,10H,5H2,1-2H3,(H,14,15)
InChIKeyUVSZRRVLSDXSLO-UHFFFAOYSA-N
XLogP2.25
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile (CID 115282671) is 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCC(F)F)c(C#N)c(C)n1.
What is the InChIKey of 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UVSZRRVLSDXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-6-3-9(14-5-10(11)12)8(4-13)7(2)15-6/h3,10H,5H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile?
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 115282671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).