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

C12H9BrFN5O — CID 126649019

IUPAC7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(Br)c2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9BrFN5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)16-12-11(8)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeySGCLGDRATHEJFH-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.42
Rot. Bonds3

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

7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649019) has the molecular formula C12H9BrFN5O and a molecular weight of 338.14 g/mol. Its IUPAC name is 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649019
Molecular FormulaC12H9BrFN5O
Molecular Weight338.14 g/mol
Exact Mass337.00
IUPAC Name7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(Br)c2F)c2n[nH]nc2n1
InChIInChI=1S/C12H9BrFN5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)16-12-11(8)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeySGCLGDRATHEJFH-UHFFFAOYSA-N
XLogP2.42
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648919
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-[(2,6-dichlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678975
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
US10214527, Example 27
CID 126679215
7-[[2-benzyl-5-(trifluoromethyl)triazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949422

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649019) is 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(Br)c2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SGCLGDRATHEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN5O/c13-7-3-1-2-6(10(7)14)5-20-8-4-9(15)16-12-11(8)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19).
What are the key properties of 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 338.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-2-fluorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).