6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde

C16H16N2O — CID 102546467

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(N2CCc3ccccc3C2)ccc1C=O
InChIInChI=1S/C16H16N2O/c1-12-15(11-19)6-7-16(17-12)18-9-8-13-4-2-3-5-14(13)10-18/h2-7,11H,8-10H2,1H3
InChIKeyUFEBZZUSULBFBE-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.77
Rot. Bonds2

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde

6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde (PubChem CID 102546467) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
PubChem CID102546467
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(N2CCc3ccccc3C2)ccc1C=O
InChIInChI=1S/C16H16N2O/c1-12-15(11-19)6-7-16(17-12)18-9-8-13-4-2-3-5-14(13)10-18/h2-7,11H,8-10H2,1H3
InChIKeyUFEBZZUSULBFBE-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
[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
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
CID 124502664
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
4-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzaldehyde
CID 114843862
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde (CID 102546467) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde is Cc1nc(N2CCc3ccccc3C2)ccc1C=O.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde?
The InChIKey is UFEBZZUSULBFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-15(11-19)6-7-16(17-12)18-9-8-13-4-2-3-5-14(13)10-18/h2-7,11H,8-10H2,1H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde has a molecular weight of 252.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 102546467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).