2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

C15H15BrN2 — CID 114056909

IUPAC2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESBrCc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C15H15BrN2/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9-11H2
InChIKeyCBURTPXCVGYMMP-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.54
Rot. Bonds2

About 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 114056909) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID114056909
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESBrCc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C15H15BrN2/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9-11H2
InChIKeyCBURTPXCVGYMMP-UHFFFAOYSA-N
XLogP3.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.54
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

3-[3-(bromomethyl)-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 114056963
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56745376
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 56749686
(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
CID 95219729
2-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 82248781
5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56741346
2-(2-pyrimidin-2-ylpyrimidin-5-yl)-3,4-dihydro-1H-isoquinoline
CID 139461226
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 67141169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 114056909) is 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is BrCc1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CBURTPXCVGYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9-11H2.
What are the key properties of 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 303.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 114056909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).