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

C16H16N2O2 — CID 102545800

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCc3ccccc3C2)ncc1C(=O)O
InChIInChI=1S/C16H16N2O2/c1-11-8-15(17-9-14(11)16(19)20)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyJZVFVAPHMDHFMR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.65
Rot. Bonds2

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

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid (PubChem CID 102545800) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
PubChem CID102545800
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCc3ccccc3C2)ncc1C(=O)O
InChIInChI=1S/C16H16N2O2/c1-11-8-15(17-9-14(11)16(19)20)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)
InChIKeyJZVFVAPHMDHFMR-UHFFFAOYSA-N
XLogP2.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545814
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 82487874
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
CID 7137791
(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-phenylmethanone
CID 102545495
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide;hydrochloride
CID 141068267
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42669944

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid (CID 102545800) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid is Cc1cc(N2CCc3ccccc3C2)ncc1C(=O)O.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid?
The InChIKey is JZVFVAPHMDHFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-8-15(17-9-14(11)16(19)20)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 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)-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 102545800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).