5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine

C8H5F3IN3 — CID 141383836

IUPAC5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1c(C(F)(F)F)nc2ccc(I)nc21
InChIInChI=1S/C8H5F3IN3/c1-15-6-4(2-3-5(12)14-6)13-7(15)8(9,10)11/h2-3H,1H3
InChIKeyGWSURXZOMDTSOH-UHFFFAOYSA-N
MW327.05 g/mol
LogP2.59
Rot. Bonds

About 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine

5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 141383836) has the molecular formula C8H5F3IN3 and a molecular weight of 327.05 g/mol. Its IUPAC name is 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID141383836
Molecular FormulaC8H5F3IN3
Molecular Weight327.05 g/mol
Exact Mass326.95
IUPAC Name5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1c(C(F)(F)F)nc2ccc(I)nc21
InChIInChI=1S/C8H5F3IN3/c1-15-6-4(2-3-5(12)14-6)13-7(15)8(9,10)11/h2-3H,1H3
InChIKeyGWSURXZOMDTSOH-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.05
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335893
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 84680783
6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 54058585
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 143205877
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 167506727
N-(2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 75422212
2-fluoro-3,5-dimethylimidazo[4,5-b]pyridine
CID 150469979
4-(4-iodophenyl)-1-methyl-6-(trifluoromethyl)pyrimidin-2-one
CID 154488059

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 141383836) is 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is Cn1c(C(F)(F)F)nc2ccc(I)nc21.
What is the InChIKey of 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is GWSURXZOMDTSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3IN3/c1-15-6-4(2-3-5(12)14-6)13-7(15)8(9,10)11/h2-3H,1H3.
What are the key properties of 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 327.05 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 141383836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).