1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone

C10H8BrN3O — CID 23627079

IUPAC1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Br)cn1
InChIInChI=1S/C10H8BrN3O/c11-8-1-2-9(13-5-8)10(15)6-14-4-3-12-7-14/h1-5,7H,6H2
InChIKeyFNFPGDRPHIJVSH-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone

1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone (PubChem CID 23627079) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone
PubChem CID23627079
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Br)cn1
InChIInChI=1S/C10H8BrN3O/c11-8-1-2-9(13-5-8)10(15)6-14-4-3-12-7-14/h1-5,7H,6H2
InChIKeyFNFPGDRPHIJVSH-UHFFFAOYSA-N
XLogP1.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazol-1-yl-1-[5-(4,4,5,5-tetramethyloxaborolan-2-yl)-2-pyridinyl]ethanone
CID 145471006
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
4-(5-bromo-2-pyridinyl)-2,4-dioxobutanoic acid
CID 151174213
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanone
CID 14988698
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
1-(5-chlorothiophen-2-yl)-2-imidazol-1-ylethanone
CID 12841537
(3-bromophenyl) 2-imidazol-1-ylacetate
CID 15284876
1-(4-cycloheptylphenyl)-2-imidazol-1-ylethanone
CID 54279792
(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
CID 130602508
5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
1-(5-bromo-2-pyridinyl)-2-(2-methylcyclopropyl)ethanone
CID 167421881

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone (CID 23627079) is 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone?
The InChIKey is FNFPGDRPHIJVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-8-1-2-9(13-5-8)10(15)6-14-4-3-12-7-14/h1-5,7H,6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone?
1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone has a molecular weight of 266.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 23627079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).