8-bromo-5-methylisoquinoline

C10H8BrN — CID 82572120

IUPAC8-bromo-5-methylisoquinoline
SMILESCc1ccc(Br)c2cnccc12
InChIInChI=1S/C10H8BrN/c1-7-2-3-10(11)9-6-12-5-4-8(7)9/h2-6H,1H3
InChIKeyHCQMREQKZJZYMN-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.31
Rot. Bonds

About 8-bromo-5-methylisoquinoline

8-bromo-5-methylisoquinoline (PubChem CID 82572120) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 8-bromo-5-methylisoquinoline.

Molecular Properties

Compound Name8-bromo-5-methylisoquinoline
PubChem CID82572120
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name8-bromo-5-methylisoquinoline
SMILESCc1ccc(Br)c2cnccc12
InChIInChI=1S/C10H8BrN/c1-7-2-3-10(11)9-6-12-5-4-8(7)9/h2-6H,1H3
InChIKeyHCQMREQKZJZYMN-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 5365247
CID 5365247
CID 5458656
CID 5458656
CID 73743
CID 73743
CID 6539767
CID 6539767
CID 6539768
CID 6539768
CID 11558270
CID 11558270
CID 3126214
CID 3126214
CID 271281
CID 271281
CID 736487
CID 736487
CID 6502024
CID 6502024
CID 13419445
CID 13419445
CID 6539794
CID 6539794

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methylisoquinoline?
The IUPAC name of 8-bromo-5-methylisoquinoline (CID 82572120) is 8-bromo-5-methylisoquinoline.
What is the SMILES notation for 8-bromo-5-methylisoquinoline?
The canonical SMILES for 8-bromo-5-methylisoquinoline is Cc1ccc(Br)c2cnccc12.
What is the InChIKey of 8-bromo-5-methylisoquinoline?
The InChIKey is HCQMREQKZJZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c1-7-2-3-10(11)9-6-12-5-4-8(7)9/h2-6H,1H3.
What are the key properties of 8-bromo-5-methylisoquinoline?
8-bromo-5-methylisoquinoline has a molecular weight of 222.09 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methylisoquinoline is sourced from PubChem (CID 82572120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).