6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine

C14H12BrFN4 — CID 79306497

IUPAC6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCC(c1ccccc1F)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C14H12BrFN4/c1-8(10-4-2-3-5-11(10)16)20-13-12(19-14(20)17)6-9(15)7-18-13/h2-8H,1H3,(H2,17,19)
InChIKeyLKCSHUKAIPZAPS-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.52
Rot. Bonds2

About 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine

6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306497) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79306497
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
SMILESCC(c1ccccc1F)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C14H12BrFN4/c1-8(10-4-2-3-5-11(10)16)20-13-12(19-14(20)17)6-9(15)7-18-13/h2-8H,1H3,(H2,17,19)
InChIKeyLKCSHUKAIPZAPS-UHFFFAOYSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79306425
6-methyl-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301690
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide
CID 106346315
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79302089
6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine
CID 106019882
6-bromo-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79302725
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
CID 79306274
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306062
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
7-bromopyrido[3,2-d]pyrimidin-2-amine
CID 122129854

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine (CID 79306497) is 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine is CC(c1ccccc1F)n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is LKCSHUKAIPZAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c1-8(10-4-2-3-5-11(10)16)20-13-12(19-14(20)17)6-9(15)7-18-13/h2-8H,1H3,(H2,17,19).
What are the key properties of 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 335.18 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).