2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine

C10H10BrN3 — CID 79738834

IUPAC2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine
SMILESCn1ccnc1Cc1cccc(Br)n1
InChIInChI=1S/C10H10BrN3/c1-14-6-5-12-10(14)7-8-3-2-4-9(11)13-8/h2-6H,7H2,1H3
InChIKeyAJJWYFBZSNNALU-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.17
Rot. Bonds2

About 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine

2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine (PubChem CID 79738834) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine
PubChem CID79738834
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine
SMILESCn1ccnc1Cc1cccc(Br)n1
InChIInChI=1S/C10H10BrN3/c1-14-6-5-12-10(14)7-8-3-2-4-9(11)13-8/h2-6H,7H2,1H3
InChIKeyAJJWYFBZSNNALU-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.17
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

4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole
CID 79738925
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
CID 80829255
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
N-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 79737861
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine?
The IUPAC name of 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine (CID 79738834) is 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine.
What is the SMILES notation for 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine?
The canonical SMILES for 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine is Cn1ccnc1Cc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine?
The InChIKey is AJJWYFBZSNNALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14-6-5-12-10(14)7-8-3-2-4-9(11)13-8/h2-6H,7H2,1H3.
What are the key properties of 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine?
2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine is sourced from PubChem (CID 79738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).