2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C10H10F3N3O2 — CID 160592164

IUPAC2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(C#N)c(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9N3.C2HF3O2/c1-5-3-6(2)11-8(10)7(5)4-9;3-2(4,5)1(6)7/h3H,1-2H3,(H2,10,11);(H,6,7)
InChIKeyRDEAPACEUTYBAG-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.79
Rot. Bonds

About 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 160592164) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID160592164
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(C#N)c(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9N3.C2HF3O2/c1-5-3-6(2)11-8(10)7(5)4-9;3-2(4,5)1(6)7/h3H,1-2H3,(H2,10,11);(H,6,7)
InChIKeyRDEAPACEUTYBAG-UHFFFAOYSA-N
XLogP1.79
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 160592164) is 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is Cc1cc(C)c(C#N)c(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is RDEAPACEUTYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.C2HF3O2/c1-5-3-6(2)11-8(10)7(5)4-9;3-2(4,5)1(6)7/h3H,1-2H3,(H2,10,11);(H,6,7).
What are the key properties of 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 261.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dimethylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160592164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).