3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine

C10H14BrN3O — CID 175358466

IUPAC3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
SMILESCOC1N(Br)c2ncccc2N1C(C)C
InChIInChI=1S/C10H14BrN3O/c1-7(2)13-8-5-4-6-12-9(8)14(11)10(13)15-3/h4-7,10H,1-3H3
InChIKeyLEHNGGZNKRTNSV-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.36
Rot. Bonds2

About 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine

3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine (PubChem CID 175358466) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
PubChem CID175358466
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
SMILESCOC1N(Br)c2ncccc2N1C(C)C
InChIInChI=1S/C10H14BrN3O/c1-7(2)13-8-5-4-6-12-9(8)14(11)10(13)15-3/h4-7,10H,1-3H3
InChIKeyLEHNGGZNKRTNSV-UHFFFAOYSA-N
XLogP2.36
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074735
8-(2-ethyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137448454
2,9-bis(3-methoxypropyl)-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101397613
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
8-ethenyl-8,9,9-triethyl-11-propan-2-yl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123759980
8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 160682335
2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 152967807
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine
CID 171439146
17-methylidene-32-phenyl-3-propan-2-yl-3,8,10,25,27,30,32-heptazaoctacyclo[16.15.0.02,10.04,9.011,16.019,24.025,33.026,31]tritriaconta-4(9),5,7,11,13,15,19,21,23,26,28,30-dodecaene
CID 130358944
2-methoxy-1,3-dimethyl-2H-benzimidazole
CID 58577333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine (CID 175358466) is 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine is COC1N(Br)c2ncccc2N1C(C)C.
What is the InChIKey of 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The InChIKey is LEHNGGZNKRTNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7(2)13-8-5-4-6-12-9(8)14(11)10(13)15-3/h4-7,10H,1-3H3.
What are the key properties of 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine has a molecular weight of 272.15 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-1-propan-2-yl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 175358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).