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

C17H7F9N2O — CID 2766504

IUPAC2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C17H7F9N2O/c18-15(19,20)8-1-3-9(4-2-8)29-13-6-5-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/h1-7H
InChIKeyBTCVLIHSUWIGCY-UHFFFAOYSA-N
MW426.24 g/mol
LogP6.48
Rot. Bonds2

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

2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine (PubChem CID 2766504) has the molecular formula C17H7F9N2O and a molecular weight of 426.24 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine
PubChem CID2766504
Molecular FormulaC17H7F9N2O
Molecular Weight426.24 g/mol
Exact Mass426.04
IUPAC Name2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1
InChIInChI=1S/C17H7F9N2O/c18-15(19,20)8-1-3-9(4-2-8)29-13-6-5-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/h1-7H
InChIKeyBTCVLIHSUWIGCY-UHFFFAOYSA-N
XLogP6.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.24
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10361588
7-(4-Methoxyphenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 2766501
4-{[5,7-Bis(trifluoromethyl)[1,8]naphthyridin-2-yl]oxy}benzenol
CID 1482352
Pyrido[2,3-d]pyrimidine-2,4-diamine, N4-methyl-7-[2-phenoxy-6-(trifluoromethyl)phenyl]-
CID 12001105
4-Phenoxy-2-(trifluoromethyl)quinazoline
CID 1475452
4-(4-Methylphenoxy)-2-(trifluoromethyl)quinazoline
CID 1475461
7-Methyl-4-phenoxy-2-phenyl-1,8-naphthyridine
CID 10828916
4,7-Diethoxy-2-phenyl-1,8-naphthyridine
CID 11415171
7-Bromo-4-ethoxy-2-phenyl-1,8-naphthyridine
CID 11771825
6-[(4-Methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531562
2-Phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
CID 155556108
2,4-Bis(trifluoromethyl)-7-[3-(trifluoromethyl)phenoxy]-1,8-naphthyridine
CID 2768569

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
The IUPAC name of 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine (CID 2766504) is 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
The canonical SMILES for 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine is FC(F)(F)c1ccc(Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
The InChIKey is BTCVLIHSUWIGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F9N2O/c18-15(19,20)8-1-3-9(4-2-8)29-13-6-5-10-11(16(21,22)23)7-12(17(24,25)26)27-14(10)28-13/h1-7H.
What are the key properties of 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine?
2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine has a molecular weight of 426.24 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-7-[4-(trifluoromethyl)phenoxy]-1,8-naphthyridine is sourced from PubChem (CID 2766504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).