6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine

C13H8Br2Cl2N6 — CID 159210373

IUPAC6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine
SMILESClc1nc(Br)cc2[nH]cnc12.Cn1cnc2c(Cl)nc(Br)cc21
InChIInChI=1S/C7H5BrClN3.C6H3BrClN3/c1-12-3-10-6-4(12)2-5(8)11-7(6)9;7-4-1-3-5(6(8)11-4)10-2-9-3/h2-3H,1H3;1-2H,(H,9,10)
InChIKeyKQKNXTQDGKGHFK-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.76
Rot. Bonds

About 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine

6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine (PubChem CID 159210373) has the molecular formula C13H8Br2Cl2N6 and a molecular weight of 478.96 g/mol. Its IUPAC name is 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine
PubChem CID159210373
Molecular FormulaC13H8Br2Cl2N6
Molecular Weight478.96 g/mol
Exact Mass475.86
IUPAC Name6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine
SMILESClc1nc(Br)cc2[nH]cnc12.Cn1cnc2c(Cl)nc(Br)cc21
InChIInChI=1S/C7H5BrClN3.C6H3BrClN3/c1-12-3-10-6-4(12)2-5(8)11-7(6)9;7-4-1-3-5(6(8)11-4)10-2-9-3/h2-3H,1H3;1-2H,(H,9,10)
InChIKeyKQKNXTQDGKGHFK-UHFFFAOYSA-N
XLogP4.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine (CID 159210373) is 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine is Clc1nc(Br)cc2[nH]cnc12.Cn1cnc2c(Cl)nc(Br)cc21.
What is the InChIKey of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine?
The InChIKey is KQKNXTQDGKGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3.C6H3BrClN3/c1-12-3-10-6-4(12)2-5(8)11-7(6)9;7-4-1-3-5(6(8)11-4)10-2-9-3/h2-3H,1H3;1-2H,(H,9,10).
What are the key properties of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine?
6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine has a molecular weight of 478.96 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 159210373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).