3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine

C12H14BrN3 — CID 115769653

IUPAC3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
SMILESCCCc1nccn1Cc1cncc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-2-3-12-15-4-5-16(12)9-10-6-11(13)8-14-7-10/h4-8H,2-3,9H2,1H3
InChIKeyTXINRSBZKYYFNZ-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.04
Rot. Bonds4

About 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine

3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine (PubChem CID 115769653) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
PubChem CID115769653
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine
SMILESCCCc1nccn1Cc1cncc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-2-3-12-15-4-5-16(12)9-10-6-11(13)8-14-7-10/h4-8H,2-3,9H2,1H3
InChIKeyTXINRSBZKYYFNZ-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[[2-(chloromethyl)imidazol-1-yl]methyl]pyridine
CID 104801413
3-bromo-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]pyridine
CID 104809193
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 102877958
1-[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102772183
N-[[3-bromo-4-[(2-propylimidazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772185
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
CID 106269522
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole
CID 115582513
2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 106788433
[1-(5-bromo-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105251280

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine (CID 115769653) is 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine is CCCc1nccn1Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine?
The InChIKey is TXINRSBZKYYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-2-3-12-15-4-5-16(12)9-10-6-11(13)8-14-7-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine?
3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine has a molecular weight of 280.17 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-propylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 115769653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).