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

C11H8BrFN6O — CID 118949783

IUPAC7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ncc(Br)cc2F)c2n[nH]nc2n1
InChIInChI=1S/C11H8BrFN6O/c12-5-1-6(13)7(15-3-5)4-20-8-2-9(14)16-11-10(8)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19)
InChIKeyLQWHDGSIGKZGMW-UHFFFAOYSA-N
MW339.13 g/mol
LogP1.81
Rot. Bonds3

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

7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949783) has the molecular formula C11H8BrFN6O and a molecular weight of 339.13 g/mol. Its IUPAC name is 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949783
Molecular FormulaC11H8BrFN6O
Molecular Weight339.13 g/mol
Exact Mass337.99
IUPAC Name7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ncc(Br)cc2F)c2n[nH]nc2n1
InChIInChI=1S/C11H8BrFN6O/c12-5-1-6(13)7(15-3-5)4-20-8-2-9(14)16-11-10(8)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19)
InChIKeyLQWHDGSIGKZGMW-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

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

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Related Compounds

7-[(1-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949632
6-bromo-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 2831249
N-(4-bromo-2-fluorophenyl)-5-methyl-6-[3-(triazol-2-yl)propoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 21945748
6-bromo-3-(2-fluorophenyl)-5-[1-(1H-1,2,4-triazol-5-yl)ethoxy]triazolo[4,5-b]pyridine
CID 53952008
5-[4-(2-Bromo-5-fluorophenoxy)piperidin-1-yl]-3H-[1,2,3]triazolo[4,5-d]-pyrimidine
CID 58016978
8-Bromo-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 58449917
7-[[6-(trifluoromethyl)pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949703
7-[(2-chloro-5-fluoro-4-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949810
7-[[3-fluoro-6-(1-methylpyrazol-3-yl)-2-pyridinyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950020
7-[(6-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950188
7-[(3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridine
CID 118950300
7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950340

Frequently Asked Questions

What is the IUPAC name of 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949783) is 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2ncc(Br)cc2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is LQWHDGSIGKZGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN6O/c12-5-1-6(13)7(15-3-5)4-20-8-2-9(14)16-11-10(8)17-19-18-11/h1-3H,4H2,(H3,14,16,17,18,19).
What are the key properties of 7-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(5-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-[(5-bromo-3-fluoro-2-pyridinyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).