1-chloro-3-pyridin-2-ylisoquinoline

C14H9ClN2 — CID 846029

IUPAC1-chloro-3-pyridin-2-ylisoquinoline
SMILESClc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C14H9ClN2/c15-14-11-6-2-1-5-10(11)9-13(17-14)12-7-3-4-8-16-12/h1-9H
InChIKeyGHWUQXJMRBYBND-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.95
Rot. Bonds1

About 1-chloro-3-pyridin-2-ylisoquinoline

1-chloro-3-pyridin-2-ylisoquinoline (PubChem CID 846029) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-chloro-3-pyridin-2-ylisoquinoline.

Molecular Properties

Compound Name1-chloro-3-pyridin-2-ylisoquinoline
PubChem CID846029
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Name1-chloro-3-pyridin-2-ylisoquinoline
SMILESClc1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C14H9ClN2/c15-14-11-6-2-1-5-10(11)9-13(17-14)12-7-3-4-8-16-12/h1-9H
InChIKeyGHWUQXJMRBYBND-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-pyridin-2-ylisoquinoline?
The IUPAC name of 1-chloro-3-pyridin-2-ylisoquinoline (CID 846029) is 1-chloro-3-pyridin-2-ylisoquinoline.
What is the SMILES notation for 1-chloro-3-pyridin-2-ylisoquinoline?
The canonical SMILES for 1-chloro-3-pyridin-2-ylisoquinoline is Clc1nc(-c2ccccn2)cc2ccccc12.
What is the InChIKey of 1-chloro-3-pyridin-2-ylisoquinoline?
The InChIKey is GHWUQXJMRBYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2/c15-14-11-6-2-1-5-10(11)9-13(17-14)12-7-3-4-8-16-12/h1-9H.
What are the key properties of 1-chloro-3-pyridin-2-ylisoquinoline?
1-chloro-3-pyridin-2-ylisoquinoline has a molecular weight of 240.69 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-pyridin-2-ylisoquinoline is sourced from PubChem (CID 846029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).