5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid

C10H11F3N2O3 — CID 122512984

IUPAC5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ccc2c([nH]1)CNCC2
InChIInChI=1S/C8H10N2O.C2HF3O2/c11-8-2-1-6-3-4-9-5-7(6)10-8;3-2(4,5)1(6)7/h1-2,9H,3-5H2,(H,10,11);(H,6,7)
InChIKeyOFUKSCVIRYRMFP-UHFFFAOYSA-N
MW264.20 g/mol
LogP0.65
Rot. Bonds

About 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid

5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 122512984) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID122512984
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=c1ccc2c([nH]1)CNCC2
InChIInChI=1S/C8H10N2O.C2HF3O2/c11-8-2-1-6-3-4-9-5-7(6)10-8;3-2(4,5)1(6)7/h1-2,9H,3-5H2,(H,10,11);(H,6,7)
InChIKeyOFUKSCVIRYRMFP-UHFFFAOYSA-N
XLogP0.65
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid (CID 122512984) is 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=c1ccc2c([nH]1)CNCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is OFUKSCVIRYRMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2HF3O2/c11-8-2-1-6-3-4-9-5-7(6)10-8;3-2(4,5)1(6)7/h1-2,9H,3-5H2,(H,10,11);(H,6,7).
What are the key properties of 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid?
5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 264.20 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-1,7-naphthyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122512984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).