5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate

C10H9F3N2O2 — CID 91007291

IUPAC5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1nccc2c1CCNC2)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(16)17-8-7-2-3-14-5-6(7)1-4-15-8/h1,4,14H,2-3,5H2
InChIKeyGQDXNSCDZGLKFL-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.20
Rot. Bonds1

About 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate

5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate (PubChem CID 91007291) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate
PubChem CID91007291
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1nccc2c1CCNC2)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(16)17-8-7-2-3-14-5-6(7)1-4-15-8/h1,4,14H,2-3,5H2
InChIKeyGQDXNSCDZGLKFL-UHFFFAOYSA-N
XLogP1.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-yl 2,2,2-trifluoroacetate
CID 67426076
5-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 146585921
5,6,7,8-tetrahydro-2,6-naphthyridine-1-carboxylic acid;dihydrochloride
CID 146155251
5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 53435831
isoquinolin-1-yl 2,2,2-trifluoroacetate
CID 57450719
[3-[(3,4-dimethoxyphenyl)-piperidin-4-ylidenemethyl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 155757199
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 120881971
tert-butyl N-(6-bromo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CID 125450008
3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
CID 161054052
(7-chloro-8-fluoro-9H-pyrido[3,4-b]indol-1-yl) 2,2,2-trifluoroacetate
CID 175240421
1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoroacetic acid
CID 67161114
bis(1,2,3,4-tetrahydroisoquinoline);bis(2,2,2-trifluoroacetic acid)
CID 171932237

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate?
The IUPAC name of 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate (CID 91007291) is 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate is O=C(Oc1nccc2c1CCNC2)C(F)(F)F.
What is the InChIKey of 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate?
The InChIKey is GQDXNSCDZGLKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)9(16)17-8-7-2-3-14-5-6(7)1-4-15-8/h1,4,14H,2-3,5H2.
What are the key properties of 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate?
5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate has a molecular weight of 246.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2,6-naphthyridin-1-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91007291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).