2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C11H12F3N3O2 — CID 161207368

IUPAC2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCCc1cc(C)nc(N)c1C#N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11N3.C2HF3O2/c1-3-7-4-6(2)12-9(11)8(7)5-10;3-2(4,5)1(6)7/h4H,3H2,1-2H3,(H2,11,12);(H,6,7)
InChIKeyUVUAKODWLGSLHQ-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.04
Rot. Bonds1

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

2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 161207368) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID161207368
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCCc1cc(C)nc(N)c1C#N.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11N3.C2HF3O2/c1-3-7-4-6(2)12-9(11)8(7)5-10;3-2(4,5)1(6)7/h4H,3H2,1-2H3,(H2,11,12);(H,6,7)
InChIKeyUVUAKODWLGSLHQ-UHFFFAOYSA-N
XLogP2.04
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 161207368) is 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is CCc1cc(C)nc(N)c1C#N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is UVUAKODWLGSLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2HF3O2/c1-3-7-4-6(2)12-9(11)8(7)5-10;3-2(4,5)1(6)7/h4H,3H2,1-2H3,(H2,11,12);(H,6,7).
What are the key properties of 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 275.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161207368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).