8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline

C14H13ClN2 — CID 22605922

IUPAC8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESClc1cccc2c1CN(c1ccncc1)CC2
InChIInChI=1S/C14H13ClN2/c15-14-3-1-2-11-6-9-17(10-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
InChIKeyAGCMMQLWZZLYDX-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.30
Rot. Bonds1

About 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline

8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 22605922) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
PubChem CID22605922
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESClc1cccc2c1CN(c1ccncc1)CC2
InChIInChI=1S/C14H13ClN2/c15-14-3-1-2-11-6-9-17(10-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
InChIKeyAGCMMQLWZZLYDX-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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline (CID 22605922) is 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is Clc1cccc2c1CN(c1ccncc1)CC2.
What is the InChIKey of 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is AGCMMQLWZZLYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-14-3-1-2-11-6-9-17(10-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2.
What are the key properties of 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline?
8-chloro-2-pyridin-4-yl-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 8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22605922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).