1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea

C11H8BrF3N4O — CID 58310526

IUPAC1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C11H8BrF3N4O/c12-6-3-8-9(17-4-6)7(1-2-16-8)19-10(20)18-5-11(13,14)15/h1-4H,5H2,(H2,16,18,19,20)
InChIKeyONTHFJFBDDIPAN-UHFFFAOYSA-N
MW349.11 g/mol
LogP3.08
Rot. Bonds2

About 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea

1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 58310526) has the molecular formula C11H8BrF3N4O and a molecular weight of 349.11 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID58310526
Molecular FormulaC11H8BrF3N4O
Molecular Weight349.11 g/mol
Exact Mass347.98
IUPAC Name1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C11H8BrF3N4O/c12-6-3-8-9(17-4-6)7(1-2-16-8)19-10(20)18-5-11(13,14)15/h1-4H,5H2,(H2,16,18,19,20)
InChIKeyONTHFJFBDDIPAN-UHFFFAOYSA-N
XLogP3.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea (CID 58310526) is 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ONTHFJFBDDIPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N4O/c12-6-3-8-9(17-4-6)7(1-2-16-8)19-10(20)18-5-11(13,14)15/h1-4H,5H2,(H2,16,18,19,20).
What are the key properties of 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 349.11 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-4-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 58310526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).