2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole

C14H13BrN2 — CID 141404518

IUPAC2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole
SMILESBrCc1cccc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C14H13BrN2/c15-8-13-6-3-7-14(16-13)17-9-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2
InChIKeyNQDAJXFEXTVEIN-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.50
Rot. Bonds2

About 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole

2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole (PubChem CID 141404518) has the molecular formula C14H13BrN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole
PubChem CID141404518
Molecular FormulaC14H13BrN2
Molecular Weight289.18 g/mol
Exact Mass288.03
IUPAC Name2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole
SMILESBrCc1cccc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C14H13BrN2/c15-8-13-6-3-7-14(16-13)17-9-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2
InChIKeyNQDAJXFEXTVEIN-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781
[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanamine
CID 62298749
N-[[4-(aminomethyl)phenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-amine
CID 167858926
2-(bromomethyl)-6-[1-[6-(bromomethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
CID 15434328
[6-(1,3-dihydroisoindol-2-yl)pyridazin-3-yl]methanol
CID 55050048
[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299639
2-(bromomethyl)-6-iodopyridine
CID 119084296
2,6-bis(bromomethyl)pyridine;[6-(hydroxymethyl)-2-pyridinyl]methanol
CID 158197144
4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine
CID 167873937
[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]methanol
CID 62254100
2-(6-methylpyrazin-2-yl)-1,3-dihydroisoindole
CID 133470505
[6-(azocan-1-yl)-2-pyridinyl]methanol
CID 62253750

Frequently Asked Questions

What is the IUPAC name of 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole (CID 141404518) is 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole is BrCc1cccc(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole?
The InChIKey is NQDAJXFEXTVEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2/c15-8-13-6-3-7-14(16-13)17-9-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2.
What are the key properties of 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole?
2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole has a molecular weight of 289.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(bromomethyl)-2-pyridinyl]-1,3-dihydroisoindole is sourced from PubChem (CID 141404518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).