7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C11H8BrFN6O — CID 118950188

IUPAC7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2nc(Br)ccc2F)c2n[nH]nc2n1
InChIInChI=1S/C11H8BrFN6O/c12-8-2-1-5(13)6(15-8)4-20-7-3-9(14)16-11-10(7)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19)
InChIKeyOERMZYITXXDYNY-UHFFFAOYSA-N
MW339.13 g/mol
LogP1.81
Rot. Bonds3

About 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950188) has the molecular formula C11H8BrFN6O and a molecular weight of 339.13 g/mol. Its IUPAC name is 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950188
Molecular FormulaC11H8BrFN6O
Molecular Weight339.13 g/mol
Exact Mass337.99
IUPAC Name7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2nc(Br)ccc2F)c2n[nH]nc2n1
InChIInChI=1S/C11H8BrFN6O/c12-8-2-1-5(13)6(15-8)4-20-7-3-9(14)16-11-10(7)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19)
InChIKeyOERMZYITXXDYNY-UHFFFAOYSA-N
XLogP1.81
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[2-(3-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949625
7-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949703
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734
7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949783
7-[[6-(3-fluorophenyl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950209
7-[(3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridine
CID 118950300
7-[(4-bromo-2,6-difluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648705
7-[[4-bromo-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648718

Frequently Asked Questions

What is the IUPAC name of 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950188) is 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2nc(Br)ccc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is OERMZYITXXDYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN6O/c12-8-2-1-5(13)6(15-8)4-20-7-3-9(14)16-11-10(7)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19).
What are the key properties of 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 339.13 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).