2-bromo-10-fluoroimidazo[2,1-a]isoquinoline

C11H6BrFN2 — CID 115049280

IUPAC2-bromo-10-fluoroimidazo[2,1-a]isoquinoline
SMILESFc1cccc2ccn3cc(Br)nc3c12
InChIInChI=1S/C11H6BrFN2/c12-9-6-15-5-4-7-2-1-3-8(13)10(7)11(15)14-9/h1-6H
InChIKeyITHQMMRTHPHOHD-UHFFFAOYSA-N
MW265.09 g/mol
LogP3.39
Rot. Bonds

About 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline

2-bromo-10-fluoroimidazo[2,1-a]isoquinoline (PubChem CID 115049280) has the molecular formula C11H6BrFN2 and a molecular weight of 265.09 g/mol. Its IUPAC name is 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-bromo-10-fluoroimidazo[2,1-a]isoquinoline
PubChem CID115049280
Molecular FormulaC11H6BrFN2
Molecular Weight265.09 g/mol
Exact Mass263.97
IUPAC Name2-bromo-10-fluoroimidazo[2,1-a]isoquinoline
SMILESFc1cccc2ccn3cc(Br)nc3c12
InChIInChI=1S/C11H6BrFN2/c12-9-6-15-5-4-7-2-1-3-8(13)10(7)11(15)14-9/h1-6H
InChIKeyITHQMMRTHPHOHD-UHFFFAOYSA-N
XLogP3.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromoimidazo[2,1-a]isoquinoline
CID 161159737
6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958774
10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 136999661
2-(2-fluorophenyl)imidazo[2,1-a]isoquinoline
CID 138975222
2-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83824882
4-bromo-11-methoxy-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136617351
6-bromo-N-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79955944
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
2-(10-methylimidazo[2,1-a]isoquinolin-2-yl)acetic acid
CID 115043562
N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)quinolin-8-amine
CID 79953203
2,8-difluoro-1-methylnaphthalene
CID 138605112
1-(difluoromethyl)-8-fluoronaphthalene
CID 118841607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline?
The IUPAC name of 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline (CID 115049280) is 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline is Fc1cccc2ccn3cc(Br)nc3c12.
What is the InChIKey of 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline?
The InChIKey is ITHQMMRTHPHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2/c12-9-6-15-5-4-7-2-1-3-8(13)10(7)11(15)14-9/h1-6H.
What are the key properties of 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline?
2-bromo-10-fluoroimidazo[2,1-a]isoquinoline has a molecular weight of 265.09 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10-fluoroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 115049280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).