5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide

C10H8Br2FN — CID 154728105

IUPAC5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide
SMILESBr.Fc1ccc(CBr)c2ccncc12
InChIInChI=1S/C10H7BrFN.BrH/c11-5-7-1-2-10(12)9-6-13-4-3-8(7)9;/h1-4,6H,5H2;1H
InChIKeyUMNNMMPTQTUOQM-UHFFFAOYSA-N
MW320.99 g/mol
LogP3.85
Rot. Bonds1

About 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide

5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide (PubChem CID 154728105) has the molecular formula C10H8Br2FN and a molecular weight of 320.99 g/mol. Its IUPAC name is 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide
PubChem CID154728105
Molecular FormulaC10H8Br2FN
Molecular Weight320.99 g/mol
Exact Mass318.90
IUPAC Name5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide
SMILESBr.Fc1ccc(CBr)c2ccncc12
InChIInChI=1S/C10H7BrFN.BrH/c11-5-7-1-2-10(12)9-6-13-4-3-8(7)9;/h1-4,6H,5H2;1H
InChIKeyUMNNMMPTQTUOQM-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.99
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(8-fluoroisoquinolin-5-yl)acetamide
CID 82575252
3-(8-fluoroisoquinolin-5-yl)propanamide
CID 82578299
CID 176668021
CID 176668021
5-fluoro-8-methylisoquinoline
CID 125425947
8-chloro-5-fluoroisoquinoline
CID 124707448
1-(8-fluoroisoquinolin-5-yl)ethanone
CID 82576116
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
CID 167973852
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
3-(bromomethyl)pyridin-4-amine
CID 18674607
4-(3-bromopropyl)-3-fluoropyridine
CID 104739099
5-(hydroxymethyl)isoquinolin-8-ol
CID 136965992

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide?
The IUPAC name of 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide (CID 154728105) is 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide is Br.Fc1ccc(CBr)c2ccncc12.
What is the InChIKey of 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide?
The InChIKey is UMNNMMPTQTUOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN.BrH/c11-5-7-1-2-10(12)9-6-13-4-3-8(7)9;/h1-4,6H,5H2;1H.
What are the key properties of 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide?
5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide has a molecular weight of 320.99 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-8-fluoroisoquinoline;hydrobromide is sourced from PubChem (CID 154728105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).