3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine

C10H10BrN3 — CID 104778676

IUPAC3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
SMILESCc1ncn(-c2ccncc2Br)c1C
InChIInChI=1S/C10H10BrN3/c1-7-8(2)14(6-13-7)10-3-4-12-5-9(10)11/h3-6H,1-2H3
InChIKeyMMWYMQNNAXDSGC-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.65
Rot. Bonds1

About 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine

3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine (PubChem CID 104778676) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
PubChem CID104778676
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
SMILESCc1ncn(-c2ccncc2Br)c1C
InChIInChI=1S/C10H10BrN3/c1-7-8(2)14(6-13-7)10-3-4-12-5-9(10)11/h3-6H,1-2H3
InChIKeyMMWYMQNNAXDSGC-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
CID 104778657
3-bromo-4-(3-methyl-1,2,4-triazol-4-yl)pyridine
CID 90199424
3-bromo-4-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 166607440
1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
CID 104777827
3-bromo-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine
CID 104778675
3-bromo-4-(2-ethylimidazol-1-yl)pyridine
CID 104778672
(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
CID 63372231
9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 160870533
3-bromo-4-methylpyridine;ethane
CID 143472846
4-bromo-1-(3-bromo-4-pyridinyl)pyrazol-3-amine
CID 104777834
1-[2-(bromomethyl)-5-chlorophenyl]-4,5-dimethylimidazole
CID 107086042
2-bromo-4-(4,5-dimethylimidazol-1-yl)benzonitrile
CID 107276857

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine (CID 104778676) is 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine is Cc1ncn(-c2ccncc2Br)c1C.
What is the InChIKey of 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine?
The InChIKey is MMWYMQNNAXDSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-8(2)14(6-13-7)10-3-4-12-5-9(10)11/h3-6H,1-2H3.
What are the key properties of 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine?
3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine is sourced from PubChem (CID 104778676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).