7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine

C16H8F6N2O — CID 1473367

IUPAC7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccccc3)nc2n1
InChIInChI=1S/C16H8F6N2O/c17-15(18,19)11-8-12(16(20,21)22)23-14-10(11)6-7-13(24-14)25-9-4-2-1-3-5-9/h1-8H
InChIKeyOUGNNHQMDRPPEQ-UHFFFAOYSA-N
MW358.24 g/mol
LogP5.46
Rot. Bonds2

About 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine

7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 1473367) has the molecular formula C16H8F6N2O and a molecular weight of 358.24 g/mol. Its IUPAC name is 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID1473367
Molecular FormulaC16H8F6N2O
Molecular Weight358.24 g/mol
Exact Mass358.05
IUPAC Name7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccccc3)nc2n1
InChIInChI=1S/C16H8F6N2O/c17-15(18,19)11-8-12(16(20,21)22)23-14-10(11)6-7-13(24-14)25-9-4-2-1-3-5-9/h1-8H
InChIKeyOUGNNHQMDRPPEQ-UHFFFAOYSA-N
XLogP5.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.24
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 1473367) is 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccccc3)nc2n1.
What is the InChIKey of 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is OUGNNHQMDRPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6N2O/c17-15(18,19)11-8-12(16(20,21)22)23-14-10(11)6-7-13(24-14)25-9-4-2-1-3-5-9/h1-8H.
What are the key properties of 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 358.24 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxy-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 1473367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).