3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine

C13H10BrClN4 — CID 81138233

IUPAC3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(-c3ccc(Br)cc3Cl)c2n1
InChIInChI=1S/C13H10BrClN4/c1-7-2-4-10-12(17-7)19(13(16)18-10)11-5-3-8(14)6-9(11)15/h2-6H,1H3,(H2,16,18)
InChIKeyHLVHKKDGDVZWCT-UHFFFAOYSA-N
MW337.61 g/mol
LogP3.73
Rot. Bonds1

About 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine

3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 81138233) has the molecular formula C13H10BrClN4 and a molecular weight of 337.61 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID81138233
Molecular FormulaC13H10BrClN4
Molecular Weight337.61 g/mol
Exact Mass335.98
IUPAC Name3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc2nc(N)n(-c3ccc(Br)cc3Cl)c2n1
InChIInChI=1S/C13H10BrClN4/c1-7-2-4-10-12(17-7)19(13(16)18-10)11-5-3-8(14)6-9(11)15/h2-6H,1H3,(H2,16,18)
InChIKeyHLVHKKDGDVZWCT-UHFFFAOYSA-N
XLogP3.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine (CID 81138233) is 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc2nc(N)n(-c3ccc(Br)cc3Cl)c2n1.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HLVHKKDGDVZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4/c1-7-2-4-10-12(17-7)19(13(16)18-10)11-5-3-8(14)6-9(11)15/h2-6H,1H3,(H2,16,18).
What are the key properties of 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine?
3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 337.61 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 81138233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).