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

C10H12BrN3 — CID 163320821

IUPAC6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2cc(Br)ncc2n1C
InChIInChI=1S/C10H12BrN3/c1-6(2)10-13-7-4-9(11)12-5-8(7)14(10)3/h4-6H,1-3H3
InChIKeyWMKYSQFOFBYYPQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.85
Rot. Bonds1

About 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine

6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 163320821) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID163320821
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2cc(Br)ncc2n1C
InChIInChI=1S/C10H12BrN3/c1-6(2)10-13-7-4-9(11)12-5-8(7)14(10)3/h4-6H,1-3H3
InChIKeyWMKYSQFOFBYYPQ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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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Related Compounds

6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine
CID 178122032
1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
1-[1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)cyclopropyl]ethanamine
CID 117397222
5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
CID 169232947
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779354
3-methyl-2-propan-2-yl-6-[2-(1H-pyrrolo[2,3-b]pyridin-2-yl)propyl]imidazo[4,5-c]pyridine
CID 167175949
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
2,5-dibromo-4-propan-2-ylpyridine
CID 122715591
4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 96679578
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine (CID 163320821) is 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine is CC(C)c1nc2cc(Br)ncc2n1C.
What is the InChIKey of 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is WMKYSQFOFBYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6(2)10-13-7-4-9(11)12-5-8(7)14(10)3/h4-6H,1-3H3.
What are the key properties of 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine?
6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 254.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 163320821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).