1-pyridin-3-yl-3,4-dihydroisoquinoline

C14H12N2 — CID 14192081

IUPAC1-pyridin-3-yl-3,4-dihydroisoquinoline
SMILESc1cncc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C14H12N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10H,7,9H2
InChIKeyRHFIGANLUFTLAS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.48
Rot. Bonds1

About 1-pyridin-3-yl-3,4-dihydroisoquinoline

1-pyridin-3-yl-3,4-dihydroisoquinoline (PubChem CID 14192081) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-pyridin-3-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-pyridin-3-yl-3,4-dihydroisoquinoline
PubChem CID14192081
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-pyridin-3-yl-3,4-dihydroisoquinoline
SMILESc1cncc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C14H12N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10H,7,9H2
InChIKeyRHFIGANLUFTLAS-UHFFFAOYSA-N
XLogP2.48
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3,4-dihydroisoquinoline?
The IUPAC name of 1-pyridin-3-yl-3,4-dihydroisoquinoline (CID 14192081) is 1-pyridin-3-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-pyridin-3-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-pyridin-3-yl-3,4-dihydroisoquinoline is c1cncc(C2=NCCc3ccccc32)c1.
What is the InChIKey of 1-pyridin-3-yl-3,4-dihydroisoquinoline?
The InChIKey is RHFIGANLUFTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10H,7,9H2.
What are the key properties of 1-pyridin-3-yl-3,4-dihydroisoquinoline?
1-pyridin-3-yl-3,4-dihydroisoquinoline has a molecular weight of 208.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 14192081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).