1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole

C14H13BrN2 — CID 107079443

IUPAC1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole
SMILESBrCc1ccc(N2CCc3ccccc32)nc1
InChIInChI=1S/C14H13BrN2/c15-9-11-5-6-14(16-10-11)17-8-7-12-3-1-2-4-13(12)17/h1-6,10H,7-9H2
InChIKeyRMOFFZCNDNNPNY-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.67
Rot. Bonds2

About 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole

1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole (PubChem CID 107079443) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole
PubChem CID107079443
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole
SMILESBrCc1ccc(N2CCc3ccccc32)nc1
InChIInChI=1S/C14H13BrN2/c15-9-11-5-6-14(16-10-11)17-8-7-12-3-1-2-4-13(12)17/h1-6,10H,7-9H2
InChIKeyRMOFFZCNDNNPNY-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]ethanol
CID 102546944
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62280507
6-(2,3-dihydroindol-1-yl)pyridine-3-diazonium
CID 58798115
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633070
6-(2,3-dihydroindol-1-yl)pyridine-3-carboximidamide
CID 24698172
1-[5-(bromomethyl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
CID 107079304
5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 63660506
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113016628
[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methanamine
CID 102545843
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole?
The IUPAC name of 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole (CID 107079443) is 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole?
The canonical SMILES for 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole is BrCc1ccc(N2CCc3ccccc32)nc1.
What is the InChIKey of 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole?
The InChIKey is RMOFFZCNDNNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-9-11-5-6-14(16-10-11)17-8-7-12-3-1-2-4-13(12)17/h1-6,10H,7-9H2.
What are the key properties of 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole?
1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole has a molecular weight of 289.18 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole is sourced from PubChem (CID 107079443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).