3-bromo-4-(2-ethylimidazol-1-yl)pyridine

C10H10BrN3 — CID 104778672

IUPAC3-bromo-4-(2-ethylimidazol-1-yl)pyridine
SMILESCCc1nccn1-c1ccncc1Br
InChIInChI=1S/C10H10BrN3/c1-2-10-13-5-6-14(10)9-3-4-12-7-8(9)11/h3-7H,2H2,1H3
InChIKeyYLWFYKRMBWEJQA-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.59
Rot. Bonds2

About 3-bromo-4-(2-ethylimidazol-1-yl)pyridine

3-bromo-4-(2-ethylimidazol-1-yl)pyridine (PubChem CID 104778672) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-bromo-4-(2-ethylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(2-ethylimidazol-1-yl)pyridine
PubChem CID104778672
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-bromo-4-(2-ethylimidazol-1-yl)pyridine
SMILESCCc1nccn1-c1ccncc1Br
InChIInChI=1S/C10H10BrN3/c1-2-10-13-5-6-14(10)9-3-4-12-7-8(9)11/h3-7H,2H2,1H3
InChIKeyYLWFYKRMBWEJQA-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(2-ethylimidazol-1-yl)benzoic acid
CID 82800302
3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
CID 104778676
4-(2-ethylimidazol-1-yl)pyrimidine
CID 63812306
3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine
CID 81234307
2-(2-ethylimidazol-1-yl)-5-methylaniline
CID 61402224
6-bromo-4-(2-ethylimidazol-1-yl)-2-methylquinoline
CID 110436010
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
2-[5-bromo-2-(2-ethylimidazol-1-yl)phenyl]ethanamine
CID 114061995
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938
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
2-bromo-4-(2-ethylimidazol-1-yl)-3-fluorobenzonitrile
CID 107534188

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-ethylimidazol-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(2-ethylimidazol-1-yl)pyridine (CID 104778672) is 3-bromo-4-(2-ethylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(2-ethylimidazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(2-ethylimidazol-1-yl)pyridine is CCc1nccn1-c1ccncc1Br.
What is the InChIKey of 3-bromo-4-(2-ethylimidazol-1-yl)pyridine?
The InChIKey is YLWFYKRMBWEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-2-10-13-5-6-14(10)9-3-4-12-7-8(9)11/h3-7H,2H2,1H3.
What are the key properties of 3-bromo-4-(2-ethylimidazol-1-yl)pyridine?
3-bromo-4-(2-ethylimidazol-1-yl)pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-ethylimidazol-1-yl)pyridine is sourced from PubChem (CID 104778672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).