2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline

C14H13ClN2 — CID 53408781

IUPAC2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1cccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H13ClN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2
InChIKeyQAAFMHSDVAMJHU-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.30
Rot. Bonds1

About 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline

2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 53408781) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
PubChem CID53408781
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1cccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C14H13ClN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2
InChIKeyQAAFMHSDVAMJHU-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline 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

4-(6-chloro-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 55214156
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84570572
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
2-[5-(chloromethyl)pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 107373295
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
CID 102546467
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpyrimidin-2-amine
CID 112894232
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline (CID 53408781) is 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline is Clc1cccc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is QAAFMHSDVAMJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-13-6-3-7-14(16-13)17-9-8-11-4-1-2-5-12(11)10-17/h1-7H,8-10H2.
What are the key properties of 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 244.73 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 53408781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).