7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline

C10H11BrFN — CID 84704300

IUPAC7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(F)c(Br)cc2C1
InChIInChI=1S/C10H11BrFN/c1-13-3-2-7-5-10(12)9(11)4-8(7)6-13/h4-5H,2-3,6H2,1H3
InChIKeyNSHWJUXSAQIEPE-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.58
Rot. Bonds

About 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline

7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 84704300) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID84704300
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cc(F)c(Br)cc2C1
InChIInChI=1S/C10H11BrFN/c1-13-3-2-7-5-10(12)9(11)4-8(7)6-13/h4-5H,2-3,6H2,1H3
InChIKeyNSHWJUXSAQIEPE-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 10729255
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CID 44405495
CID 44405495
CID 15885183
CID 15885183
CID 10422416
CID 10422416
CID 10401405
CID 10401405
CID 10514405
CID 10514405
CID 10610273
CID 10610273
CID 10776652
CID 10776652
CID 11500379
CID 11500379
CID 44405498
CID 44405498
CID 765192
CID 765192
CID 12630420
CID 12630420

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline (CID 84704300) is 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline is CN1CCc2cc(F)c(Br)cc2C1.
What is the InChIKey of 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is NSHWJUXSAQIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-13-3-2-7-5-10(12)9(11)4-8(7)6-13/h4-5H,2-3,6H2,1H3.
What are the key properties of 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline?
7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 244.11 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 84704300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).