5-bromo-3H-isoindol-1-amine

C8H7BrN2 — CID 123363476

IUPAC5-bromo-3H-isoindol-1-amine
SMILESNC1=NCc2cc(Br)ccc21
InChIInChI=1S/C8H7BrN2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2,(H2,10,11)
InChIKeyGYLZXNTUWYVLAX-UHFFFAOYSA-N
MW211.06 g/mol
LogP1.67
Rot. Bonds

About 5-bromo-3H-isoindol-1-amine

5-bromo-3H-isoindol-1-amine (PubChem CID 123363476) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 5-bromo-3H-isoindol-1-amine.

Molecular Properties

Compound Name5-bromo-3H-isoindol-1-amine
PubChem CID123363476
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name5-bromo-3H-isoindol-1-amine
SMILESNC1=NCc2cc(Br)ccc21
InChIInChI=1S/C8H7BrN2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2,(H2,10,11)
InChIKeyGYLZXNTUWYVLAX-UHFFFAOYSA-N
XLogP1.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-bromo-3H-isoindol-1-yl)-pyrrolidin-1-ylmethanone
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5-bromo-3-methyl-1H-isoindole
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2-(2-amino-4-bromophenyl)-5-bromoaniline
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3-amino-6-bromoisoindol-1-one
CID 10059531
3-amino-6-bromoisoindol-1-one;hydrochloride
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6-bromo-1-methoxy-3,4-dihydroisoquinoline
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5-bromo-2,3-dihydroinden-1-one
CID 161015201
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
2-bromo-7-methyl-9H-fluorene
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2,7-dibromo-10-methylidene-9H-phenanthrene
CID 143802793
(3Z)-6-bromo-3-(5-bromo-2,2-dimethyl-3H-inden-1-ylidene)-2,2-dimethyl-1H-indene
CID 16754305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3H-isoindol-1-amine?
The IUPAC name of 5-bromo-3H-isoindol-1-amine (CID 123363476) is 5-bromo-3H-isoindol-1-amine.
What is the SMILES notation for 5-bromo-3H-isoindol-1-amine?
The canonical SMILES for 5-bromo-3H-isoindol-1-amine is NC1=NCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3H-isoindol-1-amine?
The InChIKey is GYLZXNTUWYVLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2,(H2,10,11).
What are the key properties of 5-bromo-3H-isoindol-1-amine?
5-bromo-3H-isoindol-1-amine has a molecular weight of 211.06 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3H-isoindol-1-amine is sourced from PubChem (CID 123363476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).