4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C12H15F2N3O — CID 107479586

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(CCO)CC(F)F)c(C#N)c(C)n1
InChIInChI=1S/C12H15F2N3O/c1-8-5-11(10(6-15)9(2)16-8)17(3-4-18)7-12(13)14/h5,12,18H,3-4,7H2,1-2H3
InChIKeyYBMHDIWXMZQAAO-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.63
Rot. Bonds5

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 107479586) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID107479586
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(CCO)CC(F)F)c(C#N)c(C)n1
InChIInChI=1S/C12H15F2N3O/c1-8-5-11(10(6-15)9(2)16-8)17(3-4-18)7-12(13)14/h5,12,18H,3-4,7H2,1-2H3
InChIKeyYBMHDIWXMZQAAO-UHFFFAOYSA-N
XLogP1.63
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 107479586) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(CCO)CC(F)F)c(C#N)c(C)n1.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YBMHDIWXMZQAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-8-5-11(10(6-15)9(2)16-8)17(3-4-18)7-12(13)14/h5,12,18H,3-4,7H2,1-2H3.
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 255.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107479586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).