8-bromo-7-fluoro-1-methylisoquinoline

C10H7BrFN — CID 136575901

IUPAC8-bromo-7-fluoro-1-methylisoquinoline
SMILESCc1nccc2ccc(F)c(Br)c12
InChIInChI=1S/C10H7BrFN/c1-6-9-7(4-5-13-6)2-3-8(12)10(9)11/h2-5H,1H3
InChIKeyBMCYTAHXMRLFDY-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.44
Rot. Bonds

About 8-bromo-7-fluoro-1-methylisoquinoline

8-bromo-7-fluoro-1-methylisoquinoline (PubChem CID 136575901) has the molecular formula C10H7BrFN and a molecular weight of 240.08 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-methylisoquinoline.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-methylisoquinoline
PubChem CID136575901
Molecular FormulaC10H7BrFN
Molecular Weight240.08 g/mol
Exact Mass238.97
IUPAC Name8-bromo-7-fluoro-1-methylisoquinoline
SMILESCc1nccc2ccc(F)c(Br)c12
InChIInChI=1S/C10H7BrFN/c1-6-9-7(4-5-13-6)2-3-8(12)10(9)11/h2-5H,1H3
InChIKeyBMCYTAHXMRLFDY-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1-methylisoquinoline?
The IUPAC name of 8-bromo-7-fluoro-1-methylisoquinoline (CID 136575901) is 8-bromo-7-fluoro-1-methylisoquinoline.
What is the SMILES notation for 8-bromo-7-fluoro-1-methylisoquinoline?
The canonical SMILES for 8-bromo-7-fluoro-1-methylisoquinoline is Cc1nccc2ccc(F)c(Br)c12.
What is the InChIKey of 8-bromo-7-fluoro-1-methylisoquinoline?
The InChIKey is BMCYTAHXMRLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN/c1-6-9-7(4-5-13-6)2-3-8(12)10(9)11/h2-5H,1H3.
What are the key properties of 8-bromo-7-fluoro-1-methylisoquinoline?
8-bromo-7-fluoro-1-methylisoquinoline has a molecular weight of 240.08 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-1-methylisoquinoline is sourced from PubChem (CID 136575901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).