6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid

C8H9F3N2O2 — CID 158334524

IUPAC6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(N)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2.C2HF3O2/c1-5-2-3-6(7)4-8-5;3-2(4,5)1(6)7/h2-4H,7H2,1H3;(H,6,7)
InChIKeyGQKLPMFRCHTYRJ-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.61
Rot. Bonds

About 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid

6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 158334524) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID158334524
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(N)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2.C2HF3O2/c1-5-2-3-6(7)4-8-5;3-2(4,5)1(6)7/h2-4H,7H2,1H3;(H,6,7)
InChIKeyGQKLPMFRCHTYRJ-UHFFFAOYSA-N
XLogP1.61
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid (CID 158334524) is 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid is Cc1ccc(N)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GQKLPMFRCHTYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2HF3O2/c1-5-2-3-6(7)4-8-5;3-2(4,5)1(6)7/h2-4H,7H2,1H3;(H,6,7).
What are the key properties of 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid?
6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 222.17 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158334524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).