2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine

C15H12ClF3N2 — CID 175903775

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine
SMILESFC(F)(F)c1cc(N2CCc3cnccc3C2)ccc1Cl
InChIInChI=1S/C15H12ClF3N2/c16-14-2-1-12(7-13(14)15(17,18)19)21-6-4-10-8-20-5-3-11(10)9-21/h1-3,5,7-8H,4,6,9H2
InChIKeyUHEBDHULLUJUOY-UHFFFAOYSA-N
MW312.72 g/mol
LogP4.32
Rot. Bonds1

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine

2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 175903775) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID175903775
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine
SMILESFC(F)(F)c1cc(N2CCc3cnccc3C2)ccc1Cl
InChIInChI=1S/C15H12ClF3N2/c16-14-2-1-12(7-13(14)15(17,18)19)21-6-4-10-8-20-5-3-11(10)9-21/h1-3,5,7-8H,4,6,9H2
InChIKeyUHEBDHULLUJUOY-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine (CID 175903775) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine is FC(F)(F)c1cc(N2CCc3cnccc3C2)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is UHEBDHULLUJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c16-14-2-1-12(7-13(14)15(17,18)19)21-6-4-10-8-20-5-3-11(10)9-21/h1-3,5,7-8H,4,6,9H2.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine?
2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 312.72 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 175903775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).