N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid

C9H11F3N2O2 — CID 11770447

IUPACN,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N2.C2HF3O2/c1-9(2)7-3-5-8-6-4-7;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)
InChIKeyGNAVRIOUFJYBFF-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.78
Rot. Bonds1

About N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid

N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 11770447) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID11770447
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC NameN,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)c1ccncc1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N2.C2HF3O2/c1-9(2)7-3-5-8-6-4-7;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)
InChIKeyGNAVRIOUFJYBFF-UHFFFAOYSA-N
XLogP1.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid (CID 11770447) is N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid is CN(C)c1ccncc1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GNAVRIOUFJYBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2HF3O2/c1-9(2)7-3-5-8-6-4-7;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7).
What are the key properties of N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid?
N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 236.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpyridin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11770447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).