3-(5-methyl-2-pyridinyl)isoquinoline

C15H12N2 — CID 58382619

IUPAC3-(5-methyl-2-pyridinyl)isoquinoline
SMILESCc1ccc(-c2cc3ccccc3cn2)nc1
InChIInChI=1S/C15H12N2/c1-11-6-7-14(16-9-11)15-8-12-4-2-3-5-13(12)10-17-15/h2-10H,1H3
InChIKeyGTXWSOIXQMLYJM-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.61
Rot. Bonds1

About 3-(5-methyl-2-pyridinyl)isoquinoline

3-(5-methyl-2-pyridinyl)isoquinoline (PubChem CID 58382619) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)isoquinoline.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)isoquinoline
PubChem CID58382619
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name3-(5-methyl-2-pyridinyl)isoquinoline
SMILESCc1ccc(-c2cc3ccccc3cn2)nc1
InChIInChI=1S/C15H12N2/c1-11-6-7-14(16-9-11)15-8-12-4-2-3-5-13(12)10-17-15/h2-10H,1H3
InChIKeyGTXWSOIXQMLYJM-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)isoquinoline?
The IUPAC name of 3-(5-methyl-2-pyridinyl)isoquinoline (CID 58382619) is 3-(5-methyl-2-pyridinyl)isoquinoline.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)isoquinoline?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)isoquinoline is Cc1ccc(-c2cc3ccccc3cn2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)isoquinoline?
The InChIKey is GTXWSOIXQMLYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-11-6-7-14(16-9-11)15-8-12-4-2-3-5-13(12)10-17-15/h2-10H,1H3.
What are the key properties of 3-(5-methyl-2-pyridinyl)isoquinoline?
3-(5-methyl-2-pyridinyl)isoquinoline has a molecular weight of 220.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)isoquinoline is sourced from PubChem (CID 58382619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).