1-[(3-chloro-2-pyridinyl)oxy]isoquinoline

C14H9ClN2O — CID 123551407

IUPAC1-[(3-chloro-2-pyridinyl)oxy]isoquinoline
SMILESClc1cccnc1Oc1nccc2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-12-6-3-8-16-14(12)18-13-11-5-2-1-4-10(11)7-9-17-13/h1-9H
InChIKeyKQKWMHYXYFRUQB-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.08
Rot. Bonds2

About 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline

1-[(3-chloro-2-pyridinyl)oxy]isoquinoline (PubChem CID 123551407) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)oxy]isoquinoline
PubChem CID123551407
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name1-[(3-chloro-2-pyridinyl)oxy]isoquinoline
SMILESClc1cccnc1Oc1nccc2ccccc12
InChIInChI=1S/C14H9ClN2O/c15-12-6-3-8-16-14(12)18-13-11-5-2-1-4-10(11)7-9-17-13/h1-9H
InChIKeyKQKWMHYXYFRUQB-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-isoquinolin-1-yloxyaniline
CID 107718011
1-(6-chloropyrimidin-4-yl)oxyisoquinoline
CID 87890292
1-(4-methylphenoxy)isoquinoline
CID 118474551
4-[(3-chloro-2-pyridinyl)oxy]naphthalen-1-amine
CID 55228286
2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 43363998
3-fluoro-2-isoquinolin-1-yloxyaniline
CID 104832181
4-isoquinolin-1-yloxybenzoic acid
CID 80505375
2-isoquinolin-1-yloxyacetaldehyde
CID 45091417
3-chloro-2-(4-iodophenoxy)pyridine
CID 61400161
1-(3-tert-butyl-5-methylphenoxy)isoquinoline
CID 153460811
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]-3-methylaniline
CID 79842800
1-(1-tert-butylpyrazol-3-yl)oxyisoquinoline
CID 91191943

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline (CID 123551407) is 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline is Clc1cccnc1Oc1nccc2ccccc12.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline?
The InChIKey is KQKWMHYXYFRUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-6-3-8-16-14(12)18-13-11-5-2-1-4-10(11)7-9-17-13/h1-9H.
What are the key properties of 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline?
1-[(3-chloro-2-pyridinyl)oxy]isoquinoline has a molecular weight of 256.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-pyridinyl)oxy]isoquinoline is sourced from PubChem (CID 123551407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).