3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine

C11H5BrF6N2O — CID 102722622

IUPAC3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine
SMILESFC(F)(F)C(Oc1ccnc2cc(Br)cnc12)C(F)(F)F
InChIInChI=1S/C11H5BrF6N2O/c12-5-3-6-8(20-4-5)7(1-2-19-6)21-9(10(13,14)15)11(16,17)18/h1-4,9H
InChIKeyOOSMGXSFKOXPHP-UHFFFAOYSA-N
MW375.07 g/mol
LogP4.26
Rot. Bonds2

About 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine

3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine (PubChem CID 102722622) has the molecular formula C11H5BrF6N2O and a molecular weight of 375.07 g/mol. Its IUPAC name is 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine
PubChem CID102722622
Molecular FormulaC11H5BrF6N2O
Molecular Weight375.07 g/mol
Exact Mass373.95
IUPAC Name3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine
SMILESFC(F)(F)C(Oc1ccnc2cc(Br)cnc12)C(F)(F)F
InChIInChI=1S/C11H5BrF6N2O/c12-5-3-6-8(20-4-5)7(1-2-19-6)21-9(10(13,14)15)11(16,17)18/h1-4,9H
InChIKeyOOSMGXSFKOXPHP-UHFFFAOYSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.07
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine (CID 102722622) is 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine is FC(F)(F)C(Oc1ccnc2cc(Br)cnc12)C(F)(F)F.
What is the InChIKey of 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine?
The InChIKey is OOSMGXSFKOXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF6N2O/c12-5-3-6-8(20-4-5)7(1-2-19-6)21-9(10(13,14)15)11(16,17)18/h1-4,9H.
What are the key properties of 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine?
3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine has a molecular weight of 375.07 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,5-naphthyridine is sourced from PubChem (CID 102722622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).