2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C13H10BrFN4 — CID 79820990

IUPAC2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(Br)c(F)c3)nc2n1
InChIInChI=1S/C13H10BrFN4/c1-16-11-5-4-10-13(18-11)19-12(17-10)7-2-3-8(14)9(15)6-7/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyPQKDLDXLOWKDES-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.57
Rot. Bonds2

About 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79820990) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79820990
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(Br)c(F)c3)nc2n1
InChIInChI=1S/C13H10BrFN4/c1-16-11-5-4-10-13(18-11)19-12(17-10)7-2-3-8(14)9(15)6-7/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyPQKDLDXLOWKDES-UHFFFAOYSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79820990) is 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3ccc(Br)c(F)c3)nc2n1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is PQKDLDXLOWKDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c1-16-11-5-4-10-13(18-11)19-12(17-10)7-2-3-8(14)9(15)6-7/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 321.15 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79820990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).