1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine

C14H14BrN3 — CID 104798255

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccc(Br)cn1)CC2
InChIInChI=1S/C14H14BrN3/c15-11-2-4-13(17-8-11)9-18-6-5-10-1-3-12(16)7-14(10)18/h1-4,7-8H,5-6,9,16H2
InChIKeyJDAADPUBVGHJTC-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.99
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine

1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 104798255) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine
PubChem CID104798255
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(Cc1ccc(Br)cn1)CC2
InChIInChI=1S/C14H14BrN3/c15-11-2-4-13(17-8-11)9-18-6-5-10-1-3-12(16)7-14(10)18/h1-4,7-8H,5-6,9,16H2
InChIKeyJDAADPUBVGHJTC-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[6-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-3-pyridinyl]methanamine
CID 103503145
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115777489
2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104809284
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 64785333
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 106264340
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 29080631
1-(quinolin-4-ylmethyl)-2,3-dihydroindol-6-amine
CID 79231157
1-[(5-bromo-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115741374
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
CID 22612698
1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 102856206

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine (CID 104798255) is 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(Cc1ccc(Br)cn1)CC2.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is JDAADPUBVGHJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c15-11-2-4-13(17-8-11)9-18-6-5-10-1-3-12(16)7-14(10)18/h1-4,7-8H,5-6,9,16H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine?
1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 304.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 104798255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).