3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole

C11H14BrN3 — CID 145208025

IUPAC3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole
SMILESCc1ccncc1Br.Cc1nc[nH]c1C
InChIInChI=1S/C6H6BrN.C5H8N2/c1-5-2-3-8-4-6(5)7;1-4-5(2)7-3-6-4/h2-4H,1H3;3H,1-2H3,(H,6,7)
InChIKeyLFHNTJHUVMBUMS-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.18
Rot. Bonds

About 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole

3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole (PubChem CID 145208025) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole
PubChem CID145208025
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole
SMILESCc1ccncc1Br.Cc1nc[nH]c1C
InChIInChI=1S/C6H6BrN.C5H8N2/c1-5-2-3-8-4-6(5)7;1-4-5(2)7-3-6-4/h2-4H,1H3;3H,1-2H3,(H,6,7)
InChIKeyLFHNTJHUVMBUMS-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methylpyridine;ethane
CID 143472846
3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;3,5-dimethyl-1H-pyrazole;4,5-dimethyl-1H-pyrazole
CID 159066449
3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
CID 104778676
3-bromo-4-fluoropyridine;ethane
CID 144770242
3-bromo-4-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 104778902
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
CID 75406822
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
3-bromo-4-ethylpyridine
CID 13160533
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
3,4-dimethylpyridine;1,2-xylene
CID 158871716

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole?
The IUPAC name of 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole (CID 145208025) is 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole?
The canonical SMILES for 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole is Cc1ccncc1Br.Cc1nc[nH]c1C.
What is the InChIKey of 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole?
The InChIKey is LFHNTJHUVMBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.C5H8N2/c1-5-2-3-8-4-6(5)7;1-4-5(2)7-3-6-4/h2-4H,1H3;3H,1-2H3,(H,6,7).
What are the key properties of 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole?
3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole has a molecular weight of 268.16 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylpyridine;4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 145208025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).