5,8-dibromo-6-methylisoquinoline

C10H7Br2N — CID 139034941

IUPAC5,8-dibromo-6-methylisoquinoline
SMILESCc1cc(Br)c2cnccc2c1Br
InChIInChI=1S/C10H7Br2N/c1-6-4-9(11)8-5-13-3-2-7(8)10(6)12/h2-5H,1H3
InChIKeyTZLUTAMFHLZERW-UHFFFAOYSA-N
MW300.98 g/mol
LogP4.07
Rot. Bonds

About 5,8-dibromo-6-methylisoquinoline

5,8-dibromo-6-methylisoquinoline (PubChem CID 139034941) has the molecular formula C10H7Br2N and a molecular weight of 300.98 g/mol. Its IUPAC name is 5,8-dibromo-6-methylisoquinoline.

Molecular Properties

Compound Name5,8-dibromo-6-methylisoquinoline
PubChem CID139034941
Molecular FormulaC10H7Br2N
Molecular Weight300.98 g/mol
Exact Mass298.89
IUPAC Name5,8-dibromo-6-methylisoquinoline
SMILESCc1cc(Br)c2cnccc2c1Br
InChIInChI=1S/C10H7Br2N/c1-6-4-9(11)8-5-13-3-2-7(8)10(6)12/h2-5H,1H3
InChIKeyTZLUTAMFHLZERW-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.98
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-6-methylisoquinoline?
The IUPAC name of 5,8-dibromo-6-methylisoquinoline (CID 139034941) is 5,8-dibromo-6-methylisoquinoline.
What is the SMILES notation for 5,8-dibromo-6-methylisoquinoline?
The canonical SMILES for 5,8-dibromo-6-methylisoquinoline is Cc1cc(Br)c2cnccc2c1Br.
What is the InChIKey of 5,8-dibromo-6-methylisoquinoline?
The InChIKey is TZLUTAMFHLZERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N/c1-6-4-9(11)8-5-13-3-2-7(8)10(6)12/h2-5H,1H3.
What are the key properties of 5,8-dibromo-6-methylisoquinoline?
5,8-dibromo-6-methylisoquinoline has a molecular weight of 300.98 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-6-methylisoquinoline is sourced from PubChem (CID 139034941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).