7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine

C13H13F3N2O — CID 58755639

IUPAC7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine
SMILESCc1ccc2c(OC(C)C)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H13F3N2O/c1-7(2)19-10-6-11(13(14,15)16)18-12-9(10)5-4-8(3)17-12/h4-7H,1-3H3
InChIKeyNZIIZJXOILRDKD-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.74
Rot. Bonds2

About 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine

7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 58755639) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID58755639
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine
SMILESCc1ccc2c(OC(C)C)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H13F3N2O/c1-7(2)19-10-6-11(13(14,15)16)18-12-9(10)5-4-8(3)17-12/h4-7H,1-3H3
InChIKeyNZIIZJXOILRDKD-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine (CID 58755639) is 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine is Cc1ccc2c(OC(C)C)cc(C(F)(F)F)nc2n1.
What is the InChIKey of 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is NZIIZJXOILRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-7(2)19-10-6-11(13(14,15)16)18-12-9(10)5-4-8(3)17-12/h4-7H,1-3H3.
What are the key properties of 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine?
7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 270.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 58755639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).