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

C12H6BrF3N4 — CID 79306062

IUPAC6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1-c1cc(F)c(F)cc1F
InChIInChI=1S/C12H6BrF3N4/c13-5-1-9-11(18-4-5)20(12(17)19-9)10-3-7(15)6(14)2-8(10)16/h1-4H,(H2,17,19)
InChIKeyIZZDXFCLOAFJHB-UHFFFAOYSA-N
MW343.11 g/mol
LogP3.18
Rot. Bonds1

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

6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306062) has the molecular formula C12H6BrF3N4 and a molecular weight of 343.11 g/mol. Its IUPAC name is 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79306062
Molecular FormulaC12H6BrF3N4
Molecular Weight343.11 g/mol
Exact Mass341.97
IUPAC Name6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1-c1cc(F)c(F)cc1F
InChIInChI=1S/C12H6BrF3N4/c13-5-1-9-11(18-4-5)20(12(17)19-9)10-3-7(15)6(14)2-8(10)16/h1-4H,(H2,17,19)
InChIKeyIZZDXFCLOAFJHB-UHFFFAOYSA-N
XLogP3.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine (CID 79306062) is 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1-c1cc(F)c(F)cc1F.
What is the InChIKey of 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is IZZDXFCLOAFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3N4/c13-5-1-9-11(18-4-5)20(12(17)19-9)10-3-7(15)6(14)2-8(10)16/h1-4H,(H2,17,19).
What are the key properties of 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 343.11 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).