3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine

C14H11ClN4 — CID 122443320

IUPAC3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine
SMILESNc1cnc(N)c(-c2nccc3c(Cl)cccc23)c1
InChIInChI=1S/C14H11ClN4/c15-12-3-1-2-10-9(12)4-5-18-13(10)11-6-8(16)7-19-14(11)17/h1-7H,16H2,(H2,17,19)
InChIKeySKUMCSHYDQJNGF-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.11
Rot. Bonds1

About 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine

3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine (PubChem CID 122443320) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine
PubChem CID122443320
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine
SMILESNc1cnc(N)c(-c2nccc3c(Cl)cccc23)c1
InChIInChI=1S/C14H11ClN4/c15-12-3-1-2-10-9(12)4-5-18-13(10)11-6-8(16)7-19-14(11)17/h1-7H,16H2,(H2,17,19)
InChIKeySKUMCSHYDQJNGF-UHFFFAOYSA-N
XLogP3.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine?
The IUPAC name of 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine (CID 122443320) is 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine is Nc1cnc(N)c(-c2nccc3c(Cl)cccc23)c1.
What is the InChIKey of 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine?
The InChIKey is SKUMCSHYDQJNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-12-3-1-2-10-9(12)4-5-18-13(10)11-6-8(16)7-19-14(11)17/h1-7H,16H2,(H2,17,19).
What are the key properties of 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine?
3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine has a molecular weight of 270.72 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine is sourced from PubChem (CID 122443320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).