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

C12H8BrFN4 — CID 79306928

IUPAC6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1-c1ccc(F)cc1
InChIInChI=1S/C12H8BrFN4/c13-7-5-10-11(16-6-7)18(12(15)17-10)9-3-1-8(14)2-4-9/h1-6H,(H2,15,17)
InChIKeyKRTBQGWPEMNLPK-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.90
Rot. Bonds1

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

6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306928) has the molecular formula C12H8BrFN4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79306928
Molecular FormulaC12H8BrFN4
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1-c1ccc(F)cc1
InChIInChI=1S/C12H8BrFN4/c13-7-5-10-11(16-6-7)18(12(15)17-10)9-3-1-8(14)2-4-9/h1-6H,(H2,15,17)
InChIKeyKRTBQGWPEMNLPK-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine (CID 79306928) is 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1-c1ccc(F)cc1.
What is the InChIKey of 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KRTBQGWPEMNLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4/c13-7-5-10-11(16-6-7)18(12(15)17-10)9-3-1-8(14)2-4-9/h1-6H,(H2,15,17).
What are the key properties of 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 307.13 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).