8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide

C11H7BrF3N3O — CID 90178147

IUPAC8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C11H7BrF3N3O/c12-7-4-16-3-6-1-2-8(18-9(6)7)10(19)17-5-11(13,14)15/h1-4H,5H2,(H,17,19)
InChIKeyGJNJXLJHCRBCAS-UHFFFAOYSA-N
MW334.10 g/mol
LogP2.68
Rot. Bonds2

About 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide

8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 90178147) has the molecular formula C11H7BrF3N3O and a molecular weight of 334.10 g/mol. Its IUPAC name is 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID90178147
Molecular FormulaC11H7BrF3N3O
Molecular Weight334.10 g/mol
Exact Mass332.97
IUPAC Name8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C11H7BrF3N3O/c12-7-4-16-3-6-1-2-8(18-9(6)7)10(19)17-5-11(13,14)15/h1-4H,5H2,(H,17,19)
InChIKeyGJNJXLJHCRBCAS-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide (CID 90178147) is 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide is O=C(NCC(F)(F)F)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is GJNJXLJHCRBCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3N3O/c12-7-4-16-3-6-1-2-8(18-9(6)7)10(19)17-5-11(13,14)15/h1-4H,5H2,(H,17,19).
What are the key properties of 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 334.10 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 90178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).