6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine

C8H6Cl3N3 — CID 82142248

IUPAC6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(C(Cl)(Cl)Cl)[nH]c2c1
InChIInChI=1S/C8H6Cl3N3/c1-4-2-5-6(12-3-4)14-7(13-5)8(9,10)11/h2-3H,1H3,(H,12,13,14)
InChIKeyKXTINMYVJWNNBZ-UHFFFAOYSA-N
MW250.52 g/mol
LogP3.09
Rot. Bonds

About 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine

6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 82142248) has the molecular formula C8H6Cl3N3 and a molecular weight of 250.52 g/mol. Its IUPAC name is 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID82142248
Molecular FormulaC8H6Cl3N3
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(C(Cl)(Cl)Cl)[nH]c2c1
InChIInChI=1S/C8H6Cl3N3/c1-4-2-5-6(12-3-4)14-7(13-5)8(9,10)11/h2-3H,1H3,(H,12,13,14)
InChIKeyKXTINMYVJWNNBZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine (CID 82142248) is 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(C(Cl)(Cl)Cl)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is KXTINMYVJWNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3/c1-4-2-5-6(12-3-4)14-7(13-5)8(9,10)11/h2-3H,1H3,(H,12,13,14).
What are the key properties of 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine?
6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 250.52 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trichloromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 82142248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).