5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

C10H12BrN3 — CID 73424711

IUPAC5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Br)nc2n1C(C)C
InChIInChI=1S/C10H12BrN3/c1-6(2)14-7(3)12-8-4-5-9(11)13-10(8)14/h4-6H,1-3H3
InChIKeyKARQRQWTKJYTON-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.08
Rot. Bonds1

About 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 73424711) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID73424711
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(Br)nc2n1C(C)C
InChIInChI=1S/C10H12BrN3/c1-6(2)14-7(3)12-8-4-5-9(11)13-10(8)14/h4-6H,1-3H3
InChIKeyKARQRQWTKJYTON-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine (CID 73424711) is 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine is Cc1nc2ccc(Br)nc2n1C(C)C.
What is the InChIKey of 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is KARQRQWTKJYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6(2)14-7(3)12-8-4-5-9(11)13-10(8)14/h4-6H,1-3H3.
What are the key properties of 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine?
5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 254.13 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 73424711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).