2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

C11H12BrNO2 — CID 82379309

IUPAC2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
SMILESO=C(O)CC1NCCc2cccc(Br)c21
InChIInChI=1S/C11H12BrNO2/c12-8-3-1-2-7-4-5-13-9(11(7)8)6-10(14)15/h1-3,9,13H,4-6H2,(H,14,15)
InChIKeyUYBZLAKHQQBAOA-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.11
Rot. Bonds2

About 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid (PubChem CID 82379309) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
PubChem CID82379309
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
SMILESO=C(O)CC1NCCc2cccc(Br)c21
InChIInChI=1S/C11H12BrNO2/c12-8-3-1-2-7-4-5-13-9(11(7)8)6-10(14)15/h1-3,9,13H,4-6H2,(H,14,15)
InChIKeyUYBZLAKHQQBAOA-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetic acid
CID 82398858
8-bromo-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 130040965
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
2-[(2S)-4-bromo-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 97029289
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96994557
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81495370
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 50877055
1-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 174954267
2-[4-(3-bromophenyl)-3-oxo-1,4-diazepan-2-yl]acetic acid
CID 84607566

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid (CID 82379309) is 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid is O=C(O)CC1NCCc2cccc(Br)c21.
What is the InChIKey of 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid?
The InChIKey is UYBZLAKHQQBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-8-3-1-2-7-4-5-13-9(11(7)8)6-10(14)15/h1-3,9,13H,4-6H2,(H,14,15).
What are the key properties of 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid?
2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid has a molecular weight of 270.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid is sourced from PubChem (CID 82379309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).