(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine

C15H13F3N2 — CID 25234682

IUPAC(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESFC(F)(F)c1ccc([C@H]2NCCc3cccnc32)cc1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)12-5-3-11(4-6-12)14-13-10(7-9-20-14)2-1-8-19-13/h1-6,8,14,20H,7,9H2/t14-/m1/s1
InChIKeyNVYNTNWZKUHRQY-CQSZACIVSA-N
MW278.28 g/mol
LogP3.34
Rot. Bonds1

About (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine

(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine (PubChem CID 25234682) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine
PubChem CID25234682
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESFC(F)(F)c1ccc([C@H]2NCCc3cccnc32)cc1
InChIInChI=1S/C15H13F3N2/c16-15(17,18)12-5-3-11(4-6-12)14-13-10(7-9-20-14)2-1-8-19-13/h1-6,8,14,20H,7,9H2/t14-/m1/s1
InChIKeyNVYNTNWZKUHRQY-CQSZACIVSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine (CID 25234682) is (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine is FC(F)(F)c1ccc([C@H]2NCCc3cccnc32)cc1.
What is the InChIKey of (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The InChIKey is NVYNTNWZKUHRQY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13F3N2/c16-15(17,18)12-5-3-11(4-6-12)14-13-10(7-9-20-14)2-1-8-19-13/h1-6,8,14,20H,7,9H2/t14-/m1/s1.
What are the key properties of (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
(8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine has a molecular weight of 278.28 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 25234682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).