5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid

C9H10F3N3O2 — CID 56845402

IUPAC5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncc2c(n1)CCNC2
InChIInChI=1S/C7H9N3.C2HF3O2/c1-2-8-3-6-4-9-5-10-7(1)6;3-2(4,5)1(6)7/h4-5,8H,1-3H2;(H,6,7)
InChIKeyZWLYLYDIIOBBGR-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.76
Rot. Bonds

About 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid

5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 56845402) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID56845402
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncc2c(n1)CCNC2
InChIInChI=1S/C7H9N3.C2HF3O2/c1-2-8-3-6-4-9-5-10-7(1)6;3-2(4,5)1(6)7/h4-5,8H,1-3H2;(H,6,7)
InChIKeyZWLYLYDIIOBBGR-UHFFFAOYSA-N
XLogP0.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid (CID 56845402) is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ncc2c(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is ZWLYLYDIIOBBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2HF3O2/c1-2-8-3-6-4-9-5-10-7(1)6;3-2(4,5)1(6)7/h4-5,8H,1-3H2;(H,6,7).
What are the key properties of 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid?
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 249.19 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56845402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).