4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline

C10H9BrFN — CID 163856061

IUPAC4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline
SMILESCC1NC=c2ccc(F)cc2=C1Br
InChIInChI=1S/C10H9BrFN/c1-6-10(11)9-4-8(12)3-2-7(9)5-13-6/h2-6,13H,1H3
InChIKeyOYKDRPXBKVVQAS-UHFFFAOYSA-N
MW242.09 g/mol
LogP1.06
Rot. Bonds

About 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline

4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline (PubChem CID 163856061) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline
PubChem CID163856061
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline
SMILESCC1NC=c2ccc(F)cc2=C1Br
InChIInChI=1S/C10H9BrFN/c1-6-10(11)9-4-8(12)3-2-7(9)5-13-6/h2-6,13H,1H3
InChIKeyOYKDRPXBKVVQAS-UHFFFAOYSA-N
XLogP1.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline?
The IUPAC name of 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline (CID 163856061) is 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline.
What is the SMILES notation for 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline?
The canonical SMILES for 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline is CC1NC=c2ccc(F)cc2=C1Br.
What is the InChIKey of 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline?
The InChIKey is OYKDRPXBKVVQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-6-10(11)9-4-8(12)3-2-7(9)5-13-6/h2-6,13H,1H3.
What are the key properties of 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline?
4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline has a molecular weight of 242.09 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-3-methyl-2,3-dihydroisoquinoline is sourced from PubChem (CID 163856061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).