[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid

C14H11F6N3O2 — CID 122516969

IUPAC[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1cc(-c2cccnc2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H10F3N3.C2HF3O2/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9;3-2(4,5)1(6)7/h1-5,7H,6,16H2;(H,6,7)
InChIKeySJUCTYPMEHJVMW-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.25
Rot. Bonds2

About [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid

[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 122516969) has the molecular formula C14H11F6N3O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID122516969
Molecular FormulaC14H11F6N3O2
Molecular Weight367.25 g/mol
Exact Mass367.08
IUPAC Name[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1cc(-c2cccnc2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H10F3N3.C2HF3O2/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9;3-2(4,5)1(6)7/h1-5,7H,6,16H2;(H,6,7)
InChIKeySJUCTYPMEHJVMW-UHFFFAOYSA-N
XLogP3.25
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid (CID 122516969) is [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid is NCc1cc(-c2cccnc2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SJUCTYPMEHJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3.C2HF3O2/c13-12(14,15)11-5-8(6-16)4-10(18-11)9-2-1-3-17-7-9;3-2(4,5)1(6)7/h1-5,7H,6,16H2;(H,6,7).
What are the key properties of [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid?
[2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 367.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-3-yl-6-(trifluoromethyl)-4-pyridinyl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122516969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).